6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 3-(((benzyloxy)carbonyl)amino)propanoate
TL;DR: 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 3-(((benzyloxy)carbonyl)amino)propanoate (CAS 313471-15-7) is a chemical compound with molecular formula C21H18ClNO6 and molecular weight 415.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-4-methyl-2-oxochromen-7-yl) 3-(phenylmethoxycarbonylamino)propanoate
Also Known As: 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 3-(((benzyloxy)carbonyl)amino)propanoate, 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 3-{[(benzyloxy)carbonyl]amino}propanoate, F0398-0585, (6-chloro-4-methyl-2-oxochromen-7-yl) 3-(phenylmethoxycarbonylamino)propanoate, 3-BENZYLOXYCARBONYLAMINO-PROPIONIC ACID 6-CL-4-ME-2-OXO-2H-CHROMEN-7-YL ESTER
| Molecular Formula | C21H18ClNO6 |
|---|---|
| Molecular Weight | 415.08 g/mol |
| LogP | 3.97672 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.08228 |
| Heavy Atoms | 29 |
| Complexity | 1093.5167 |
Chemical Identifiers
| CAS Number | 313471-15-7 |
|---|---|
| SMILES | CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCNC(=O)OCC3=CC=CC=C3 |
Product Overview
6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 3-(((benzyloxy)carbonyl)amino)propanoate (CAS 313471-15-7), with molecular formula C21H18ClNO6 and molecular weight 415.08 g/mol. IUPAC: (6-chloro-4-methyl-2-oxochromen-7-yl) 3-(phenylmethoxycarbonylamino)propanoate.
Chemical Property Profile of 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 3-(((benzyloxy)carbonyl)amino)propanoate
Property Insights of 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 3-(((benzyloxy)carbonyl)amino)propanoate
The XLogP value of 3.97672 indicates that 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 3-(((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 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 3-(((benzyloxy)carbonyl)amino)propanoate. Following Lipinski's Rule of Five, 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 3-(((benzyloxy)carbonyl)amino)propanoate 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 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 3-(((benzyloxy)carbonyl)amino)propanoate?
The CAS number of 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 3-(((benzyloxy)carbonyl)amino)propanoate is 313471-15-7.
What is the molecular formula of 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 3-(((benzyloxy)carbonyl)amino)propanoate?
The molecular formula of 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 3-(((benzyloxy)carbonyl)amino)propanoate is C21H18ClNO6.
What is the molecular weight of 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 3-(((benzyloxy)carbonyl)amino)propanoate?
The molecular weight of 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 3-(((benzyloxy)carbonyl)amino)propanoate is 415.08 g/mol.
Where can I buy 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 3-(((benzyloxy)carbonyl)amino)propanoate?
You can request a quote for 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 3-(((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 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 3-(((benzyloxy)carbonyl)amino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 3-(((benzyloxy)carbonyl)amino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.