[trans-4-(Boc-amino)cyclohexyl]methyl Methanesulfonate - CAS 683269-95-6

Name: [trans-4-(Boc-amino)cyclohexyl]methyl Methanesulfonate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB033524
Product Name:	[trans-4-(Boc-amino)cyclohexyl]methyl Methanesulfonate
CAS:	683269-95-6
Synonyms:	methanesulfonic acid [4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]cyclohexyl]methyl ester; [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl methanesulfonate

Technical Data

IUPAC Name:	[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl methanesulfonate
Description:	[trans-4-(Boc-amino)cyclohexyl]methyl Methanesulfonate (CAS# 683269-95-6) is a useful research chemical compound.
Molecular Weight:	307.41
Molecular Formula:	C13H25NO5S
Canonical SMILES:	CC(C)(C)OC(=O)NC1CCC(CC1)COS(=O)(=O)C
InChI:	InChI=1S/C13H25NO5S/c1-13(2,3)19-12(15)14-11-7-5-10(6-8-11)9-18-20(4,16)17/h10-11H,5-9H2,1-4H3,(H,14,15)
InChI Key:	JRZCCUKNNXDEIG-UHFFFAOYSA-N
MDL:	MFCD28383641
LogP:	3.51780

Publication Number	Title	Priority Date
WO-2021127328-A1	Trpml modulators	20191219
US-2021147360-A1	Ssao inhibitors and use thereof	20191029
US-2020165250-A1	Small Molecule Inhibitors of the JAK Family of Kinases	20180615
WO-2019198692-A1	Fused cyclic urea derivatives as crhr2 antagonist	20180409
EP-3774739-A1	Fused cyclic urea derivatives as crhr2 antagonist	20180409

Complexity:	413
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	307.14534407
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	307.14534407
Rotatable Bond Count:	6
Topological Polar Surface Area:	90.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9