(2-Oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate
TL;DR: (2-Oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate (CAS 1008056-90-3) is a chemical compound with molecular formula C21H19NO6 and molecular weight 381.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate
Also Known As: (2-oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate, 2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)butanoate, 2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}butanoate, 2-(benzyloxycarbonylamino)butyric acid (2-ketochromen-7-yl) ester, (2-oxidanylidenechromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate
| Molecular Formula | C21H19NO6 |
|---|---|
| Molecular Weight | 381.12 g/mol |
| LogP | 3.4034 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.12125 |
| Heavy Atoms | 28 |
| Complexity | 1027.7502 |
Chemical Identifiers
| CAS Number | 1008056-90-3 |
|---|---|
| SMILES | CCC(C(=O)OC1=CC2=C(C=C1)C=CC(=O)O2)NC(=O)OCC3=CC=CC=C3 |
Product Overview
(2-Oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate (CAS 1008056-90-3), with molecular formula C21H19NO6 and molecular weight 381.12 g/mol. IUPAC: (2-oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate.
Chemical Property Profile of (2-Oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate
Property Insights of (2-Oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate
The XLogP value of 3.4034 indicates that (2-Oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate 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 (2-Oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate. Following Lipinski's Rule of Five, (2-Oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate 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 (2-Oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate?
The CAS number of (2-Oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate is 1008056-90-3.
What is the molecular formula of (2-Oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate?
The molecular formula of (2-Oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate is C21H19NO6.
What is the molecular weight of (2-Oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate?
The molecular weight of (2-Oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate is 381.12 g/mol.
Where can I buy (2-Oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate?
You can request a quote for (2-Oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.