(6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenylmethoxycarbonylaminobutanoate
TL;DR: (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenylmethoxycarbonylaminobutanoate (CAS 1039728-49-8) is a chemical compound with molecular formula C23H22ClNO6 and molecular weight 443.11 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) 2-(phenylmethoxycarbonylamino)butanoate
Also Known As: (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenylmethoxycarbonylaminobutanoate, (6-chloro-3,4-dimethyl-2-oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate, 6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)butanoate, 6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}butanoate
| Molecular Formula | C23H22ClNO6 |
|---|---|
| Molecular Weight | 443.11 g/mol |
| LogP | 4.67364 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.11356 |
| Heavy Atoms | 31 |
| Complexity | 1172.1405 |
Chemical Identifiers
| CAS Number | 1039728-49-8 |
|---|---|
| SMILES | CCC(C(=O)OC1=C(C=C2C(=C(C(=O)OC2=C1)C)C)Cl)NC(=O)OCC3=CC=CC=C3 |
Product Overview
(6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenylmethoxycarbonylaminobutanoate (CAS 1039728-49-8), with molecular formula C23H22ClNO6 and molecular weight 443.11 g/mol. IUPAC: (6-chloro-3,4-dimethyl-2-oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate.
Chemical Property Profile of (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenylmethoxycarbonylaminobutanoate
Property Insights of (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenylmethoxycarbonylaminobutanoate
The XLogP value of 4.67364 indicates that (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenylmethoxycarbonylaminobutanoate 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-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenylmethoxycarbonylaminobutanoate. Following Lipinski's Rule of Five, (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenylmethoxycarbonylaminobutanoate 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-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenylmethoxycarbonylaminobutanoate?
The CAS number of (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenylmethoxycarbonylaminobutanoate is 1039728-49-8.
What is the molecular formula of (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenylmethoxycarbonylaminobutanoate?
The molecular formula of (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenylmethoxycarbonylaminobutanoate is C23H22ClNO6.
What is the molecular weight of (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenylmethoxycarbonylaminobutanoate?
The molecular weight of (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenylmethoxycarbonylaminobutanoate is 443.11 g/mol.
Where can I buy (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenylmethoxycarbonylaminobutanoate?
You can request a quote for (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenylmethoxycarbonylaminobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenylmethoxycarbonylaminobutanoate?
Yes, KEHONG BIO provides custom synthesis services for (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenylmethoxycarbonylaminobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.