1-Cbz-4-piperidinyl 4-Methylbenzenesulfonate - CAS 196601-12-4

Name: 1-Cbz-4-piperidinyl 4-Methylbenzenesulfonate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB015204
Product Name:	1-Cbz-4-piperidinyl 4-Methylbenzenesulfonate
CAS:	196601-12-4
Synonyms:	4-(4-methylphenyl)sulfonyloxy-1-piperidinecarboxylic acid (phenylmethyl) ester; benzyl 4-(4-methylphenyl)sulfonyloxypiperidine-1-carboxylate

Technical Data

IUPAC Name:	benzyl 4-(4-methylphenyl)sulfonyloxypiperidine-1-carboxylate
Description:	1-Cbz-4-piperidinyl 4-Methylbenzenesulfonate (CAS# 196601-12-4) is a useful research chemical compound.
Molecular Weight:	389.47
Molecular Formula:	C20H23NO5S
Canonical SMILES:	CC1=CC=C(C=C1)S(=O)(=O)OC2CCN(CC2)C(=O)OCC3=CC=CC=C3
InChI:	InChI=1S/C20H23NO5S/c1-16-7-9-19(10-8-16)27(23,24)26-18-11-13-21(14-12-18)20(22)25-15-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3
InChI Key:	QTGVXQVMKCJZTR-UHFFFAOYSA-N
LogP:	4.52020

Publication Number	Title	Priority Date
AU-2017289158-A1	4,6-diaminoquinazolines as Cot modulators and methods of use thereof	20160630
AU-2017289158-B2	4,6-diaminoquinazolines as Cot modulators and methods of use thereof	20160630
CA-3029457-A1	4,6-diaminoquinazolines as cot modulators and methods of use thereof	20160630
EP-3478674-A1	4,6-diaminoquinazolines as cot modulators and methods of use thereof	20160630
EP-3478674-B1	4,6-diaminoquinazolines as cot modulators and methods of use thereof	20160630

Complexity:	566
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	389.12969401
Formal Charge:	0
Heavy Atom Count:	27
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	389.12969401
Rotatable Bond Count:	6
Topological Polar Surface Area:	81.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5