Carbamic acid, (1-(((3,3-difluoro-2-oxo-1-(phenylmethyl)-5-(2-pyridinyl)pentyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (S-(R*,R*))-
TL;DR: Carbamic acid, (1-(((3,3-difluoro-2-oxo-1-(phenylmethyl)-5-(2-pyridinyl)pentyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (S-(R*,R*))- (CAS 134450-40-1) is a chemical compound with molecular formula C30H33F2N3O4 and molecular weight 537.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[(2S)-1-[[(2S)-4,4-difluoro-3-oxo-1-phenyl-6-pyridin-2-ylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Also Known As: Carbamic acid, (1-(((3,3-difluoro-2-oxo-1-(phenylmethyl)-5-(2-pyridinyl)pentyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (S-(R*,R*))-, 5(S)-(N-Benzyloxycarbonyl-L-valinyl)-amino-3,3-difluoro-6-phenyl-1-(pyridinyl-2-yl)-4-oxo-hexane, Benzyl [(2S)-1-{[(2S)-4,4-difluoro-3-oxo-1-phenyl-6-(pyridin-2-yl)hexan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate, benzyl N-[(1S)-1-[[(1S)-1-benzyl-3,3-difluoro-2-oxo-5-(2-pyridyl)pentyl]carbamoyl]-2-methyl-propyl]carbamate, benzyl N-[(2S)-1-[[(2S)-4,4-difluoro-3-oxo-1-phenyl-6-pyridin-2-ylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
| Molecular Formula | C30H33F2N3O4 |
|---|---|
| Molecular Weight | 537.24 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 537.2439 |
| Heavy Atoms | 39 |
| Complexity | 782.0 |
Chemical Identifiers
| CAS Number | 134450-40-1 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)C(CCC2=CC=CC=N2)(F)F)NC(=O)OCC3=CC=CC=C3 |
| InChIKey | IQPBVUHPGULMPU-UIOOFZCWSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamic acid, (1-(((3,3-difluoro-2-oxo-1-(phenylmethyl)-5-(2-pyridinyl)pentyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (S-(R*,R*))- (CAS 134450-40-1), with molecular formula C30H33F2N3O4 and molecular weight 537.24 g/mol. IUPAC: benzyl N-[(2S)-1-[[(2S)-4,4-difluoro-3-oxo-1-phenyl-6-pyridin-2-ylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.
Chemical Property Profile of Carbamic acid, (1-(((3,3-difluoro-2-oxo-1-(phenylmethyl)-5-(2-pyridinyl)pentyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (S-(R*,R*))-
Property Insights of Carbamic acid, (1-(((3,3-difluoro-2-oxo-1-(phenylmethyl)-5-(2-pyridinyl)pentyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (S-(R*,R*))-
The XLogP value of 5.8 indicates that Carbamic acid, (1-(((3,3-difluoro-2-oxo-1-(phenylmethyl)-5-(2-pyridinyl)pentyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (S-(R*,R*))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, (1-(((3,3-difluoro-2-oxo-1-(phenylmethyl)-5-(2-pyridinyl)pentyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (S-(R*,R*))-. Following Lipinski's Rule of Five, Carbamic acid, (1-(((3,3-difluoro-2-oxo-1-(phenylmethyl)-5-(2-pyridinyl)pentyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (S-(R*,R*))- has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbamic acid, (1-(((3,3-difluoro-2-oxo-1-(phenylmethyl)-5-(2-pyridinyl)pentyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (S-(R*,R*))-?
The CAS number of Carbamic acid, (1-(((3,3-difluoro-2-oxo-1-(phenylmethyl)-5-(2-pyridinyl)pentyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (S-(R*,R*))- is 134450-40-1.
What is the molecular formula of Carbamic acid, (1-(((3,3-difluoro-2-oxo-1-(phenylmethyl)-5-(2-pyridinyl)pentyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (S-(R*,R*))-?
The molecular formula of Carbamic acid, (1-(((3,3-difluoro-2-oxo-1-(phenylmethyl)-5-(2-pyridinyl)pentyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (S-(R*,R*))- is C30H33F2N3O4.
What is the molecular weight of Carbamic acid, (1-(((3,3-difluoro-2-oxo-1-(phenylmethyl)-5-(2-pyridinyl)pentyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (S-(R*,R*))-?
The molecular weight of Carbamic acid, (1-(((3,3-difluoro-2-oxo-1-(phenylmethyl)-5-(2-pyridinyl)pentyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (S-(R*,R*))- is 537.24 g/mol.
Where can I buy Carbamic acid, (1-(((3,3-difluoro-2-oxo-1-(phenylmethyl)-5-(2-pyridinyl)pentyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (S-(R*,R*))-?
You can request a quote for Carbamic acid, (1-(((3,3-difluoro-2-oxo-1-(phenylmethyl)-5-(2-pyridinyl)pentyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (S-(R*,R*))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, (1-(((3,3-difluoro-2-oxo-1-(phenylmethyl)-5-(2-pyridinyl)pentyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (S-(R*,R*))-?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (1-(((3,3-difluoro-2-oxo-1-(phenylmethyl)-5-(2-pyridinyl)pentyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (S-(R*,R*))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.