(1-Ethoxycarbonylethyl)triphenylphosphonium Bromide - CAS 30018-16-7
Catalog: |
BB020414 |
Product Name: |
(1-Ethoxycarbonylethyl)triphenylphosphonium Bromide |
CAS: |
30018-16-7 |
Synonyms: |
(1-ethoxy-1-oxopropan-2-yl)-triphenylphosphonium;bromide; (1-ethoxy-1-oxopropan-2-yl)-triphenylphosphanium;bromide |
IUPAC Name: | (1-ethoxy-1-oxopropan-2-yl)-triphenylphosphanium;bromide |
Description: | (1-Ethoxycarbonylethyl)triphenylphosphonium Bromide (CAS# 30018-16-7) is a reagent that is used in the preparation abd Hepatitis C virus polymerase NS5B inhibitory of cyclohexylpyrazolylmethylacrylic acid. |
Molecular Weight: | 443.31 |
Molecular Formula: | C23H24BrO2P |
Canonical SMILES: | CCOC(=O)C(C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-] |
InChI: | InChI=1S/C23H24O2P.BrH/c1-3-25-23(24)19(2)26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-19H,3H2,1-2H3;1H/q+1;/p-1 |
InChI Key: | RSYXORMKBUFAMS-UHFFFAOYSA-M |
Appearance: | White crystalline powder |
MDL: | MFCD00031605 |
LogP: | 0.93610 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2872157-A1 | Conjugates of cell binding molecules with cytotoxic agents | 20120712 |
EP-2872157-B1 | Conjugates of cell binding molecules with cytotoxic agents | 20120712 |
EP-3210627-A1 | Conjugates of cell binding molecules with cytotoxic agents | 20120712 |
EP-3348280-A1 | Conjugates of cell binding molecules with cytotoxic agents | 20120712 |
US-10399941-B2 | Conjugates of cell binding molecules with cytotoxic agents | 20120712 |
Complexity: | 386 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 442.06973 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 442.06973 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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