carbamic acid, (1-oxo-1H-2-benzopyran-3-yl)-, methyl ester
TL;DR: carbamic acid, (1-oxo-1H-2-benzopyran-3-yl)-, methyl ester (CAS 89806-29-1) is a chemical compound with molecular formula C11H9NO4 and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(1-oxoisochromen-3-yl)carbamate
Also Known As: methyl (1-oxo-1H-isochromen-3-yl)carbamate, methyl N-(1-oxoisochromen-3-yl)carbamate, carbamic acid, (1-oxo-1H-2-benzopyran-3-yl)-, methyl ester, Methyl (1-oxo-1H-2-benzopyran-3-yl)carbamate, InChI=1/C11H9NO4/c1-15-11(14)12-9-6-7-4-2-3-5-8(7)10(13)16-9/h2-6H,1H3,(H,12,14
| Molecular Formula | C11H9NO4 |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.05316 |
| Heavy Atoms | 16 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 89806-29-1 |
|---|---|
| SMILES | COC(=O)NC1=CC2=CC=CC=C2C(=O)O1 |
| InChIKey | FGFBXFPVXMJFKT-UHFFFAOYSA-N |
Product Overview
carbamic acid, (1-oxo-1H-2-benzopyran-3-yl)-, methyl ester (CAS 89806-29-1), with molecular formula C11H9NO4 and molecular weight 219.05 g/mol. IUPAC: methyl N-(1-oxoisochromen-3-yl)carbamate.
Chemical Property Profile of carbamic acid, (1-oxo-1H-2-benzopyran-3-yl)-, methyl ester
Property Insights of carbamic acid, (1-oxo-1H-2-benzopyran-3-yl)-, methyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for carbamic acid, (1-oxo-1H-2-benzopyran-3-yl)-, methyl ester. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for carbamic acid, (1-oxo-1H-2-benzopyran-3-yl)-, methyl ester. Following Lipinski's Rule of Five, carbamic acid, (1-oxo-1H-2-benzopyran-3-yl)-, methyl ester has 1 hydrogen bond donor(s) and 4 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 carbamic acid, (1-oxo-1H-2-benzopyran-3-yl)-, methyl ester?
The CAS number of carbamic acid, (1-oxo-1H-2-benzopyran-3-yl)-, methyl ester is 89806-29-1.
What is the molecular formula of carbamic acid, (1-oxo-1H-2-benzopyran-3-yl)-, methyl ester?
The molecular formula of carbamic acid, (1-oxo-1H-2-benzopyran-3-yl)-, methyl ester is C11H9NO4.
What is the molecular weight of carbamic acid, (1-oxo-1H-2-benzopyran-3-yl)-, methyl ester?
The molecular weight of carbamic acid, (1-oxo-1H-2-benzopyran-3-yl)-, methyl ester is 219.05 g/mol.
Where can I buy carbamic acid, (1-oxo-1H-2-benzopyran-3-yl)-, methyl ester?
You can request a quote for carbamic acid, (1-oxo-1H-2-benzopyran-3-yl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for carbamic acid, (1-oxo-1H-2-benzopyran-3-yl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for carbamic acid, (1-oxo-1H-2-benzopyran-3-yl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.