(S)-3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate
TL;DR: (S)-3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate (CAS 956046-40-5) is a chemical compound with molecular formula C28H24ClNO6 and molecular weight 505.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzyl-6-chloro-4-methyl-2-oxochromen-7-yl) (2S)-2-(phenylmethoxycarbonylamino)propanoate
Also Known As: (S)-3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate, (3-benzyl-6-chloro-4-methyl-2-oxo-chromen-7-yl) 2-phenylmethoxycarbonylaminopropanoate, (3-benzyl-6-chloro-4-methyl-2-oxochromen-7-yl) (2S)-2-(phenylmethoxycarbonylamino)propanoate
| Molecular Formula | C28H24ClNO6 |
|---|---|
| Molecular Weight | 505.13 g/mol |
| LogP | 5.56592 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 505.1292 |
| Heavy Atoms | 36 |
| Complexity | 1450.1368 |
Chemical Identifiers
| CAS Number | 956046-40-5 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)[C@H](C)NC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4 |
Product Overview
(S)-3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate (CAS 956046-40-5), with molecular formula C28H24ClNO6 and molecular weight 505.13 g/mol. IUPAC: (3-benzyl-6-chloro-4-methyl-2-oxochromen-7-yl) (2S)-2-(phenylmethoxycarbonylamino)propanoate.
Chemical Property Profile of (S)-3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate
Property Insights of (S)-3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate
The XLogP value of 5.56592 indicates that (S)-3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate 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)-3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate. Following Lipinski's Rule of Five, (S)-3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate?
The CAS number of (S)-3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate is 956046-40-5.
What is the molecular formula of (S)-3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate?
The molecular formula of (S)-3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate is C28H24ClNO6.
What is the molecular weight of (S)-3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate?
The molecular weight of (S)-3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate is 505.13 g/mol.
Where can I buy (S)-3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate?
You can request a quote for (S)-3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.