![6-(carboxymethyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid structure](/static/products/866/866134-53-4.png)
6-(carboxymethyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
TL;DR: 6-(carboxymethyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid (CAS 866134-53-4) is a chemical compound with molecular formula C18H17NO8S and molecular weight 407.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(carboxymethyl)-4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
Also Known As: 6-(carboxymethyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid, 7X-0255, 6-(carboxymethyl)-4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid, 6-(carboxymethyl)-4-(4-methoxybenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid, 6-(carboxymethyl)-4-(4-methoxybenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylicacid
| Molecular Formula | C18H17NO8S |
|---|---|
| Molecular Weight | 407.07 g/mol |
| LogP | 1.3632 |
| Topological Polar Surface Area | 130.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.06747 |
| Heavy Atoms | 28 |
| Complexity | 1016.38116 |
Chemical Identifiers
| CAS Number | 866134-53-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=C2C=C(C=C3)CC(=O)O)C(=O)O |
Product Overview
6-(carboxymethyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid (CAS 866134-53-4), with molecular formula C18H17NO8S and molecular weight 407.07 g/mol. IUPAC: 6-(carboxymethyl)-4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid.
Chemical Property Profile of 6-(carboxymethyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
Property Insights of 6-(carboxymethyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
The XLogP value of 1.3632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(carboxymethyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid. The TPSA of 130.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(carboxymethyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid. Following Lipinski's Rule of Five, 6-(carboxymethyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid has 2 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-(carboxymethyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
The CAS number of 6-(carboxymethyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid is 866134-53-4.
What is the molecular formula of 6-(carboxymethyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
The molecular formula of 6-(carboxymethyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid is C18H17NO8S.
What is the molecular weight of 6-(carboxymethyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
The molecular weight of 6-(carboxymethyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid is 407.07 g/mol.
Where can I buy 6-(carboxymethyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
You can request a quote for 6-(carboxymethyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(carboxymethyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(carboxymethyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.