(S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate
TL;DR: (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate (CAS 956436-75-2) is a chemical compound with molecular formula C24H24ClNO6 and molecular weight 457.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-3,4-dimethyl-2-oxochromen-7-yl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
Also Known As: (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate, (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 3-methyl-2-phenylmethoxycarbonylamino-butanoate, (6-chloro-3,4-dimethyl-2-oxochromen-7-yl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
| Molecular Formula | C24H24ClNO6 |
|---|---|
| Molecular Weight | 457.13 g/mol |
| LogP | 4.91964 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.1292 |
| Heavy Atoms | 32 |
| Complexity | 1202.5753 |
Chemical Identifiers
| CAS Number | 956436-75-2 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)[C@H](C(C)C)NC(=O)OCC3=CC=CC=C3)C |
Product Overview
(S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate (CAS 956436-75-2), with molecular formula C24H24ClNO6 and molecular weight 457.13 g/mol. IUPAC: (6-chloro-3,4-dimethyl-2-oxochromen-7-yl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate.
Chemical Property Profile of (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate
Property Insights of (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate
The XLogP value of 4.91964 indicates that (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate. Following Lipinski's Rule of Five, (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate?
The CAS number of (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate is 956436-75-2.
What is the molecular formula of (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate?
The molecular formula of (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate is C24H24ClNO6.
What is the molecular weight of (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate?
The molecular weight of (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate is 457.13 g/mol.
Where can I buy (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate?
You can request a quote for (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.