![6-chloro-4-[(2-nitrobenzyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid structure](/static/products/866/866134-66-9.png)
6-chloro-4-[(2-nitrobenzyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
TL;DR: 6-chloro-4-[(2-nitrobenzyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid (CAS 866134-66-9) is a chemical compound with molecular formula C16H13ClN2O7S and molecular weight 412.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-[(2-nitrophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
Also Known As: 6-chloro-4-[(2-nitrobenzyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid, 7X-0272, 6-chloro-4-[(2-nitrophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid, 6-Chloro-4-((2-nitrobenzyl)sulfonyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylic acid, 6-chloro-4-[(2-nitrophenyl)methanesulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
| Molecular Formula | C16H13ClN2O7S |
|---|---|
| Molecular Weight | 412.01 g/mol |
| LogP | 2.4302 |
| Topological Polar Surface Area | 127.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.0132 |
| Heavy Atoms | 27 |
| Complexity | 1025.179 |
Chemical Identifiers
| CAS Number | 866134-66-9 |
|---|---|
| SMILES | C1C(OC2=C(N1S(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-])C=C(C=C2)Cl)C(=O)O |
Product Overview
6-chloro-4-[(2-nitrobenzyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid (CAS 866134-66-9), with molecular formula C16H13ClN2O7S and molecular weight 412.01 g/mol. IUPAC: 6-chloro-4-[(2-nitrophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid.
Chemical Property Profile of 6-chloro-4-[(2-nitrobenzyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
Property Insights of 6-chloro-4-[(2-nitrobenzyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
The XLogP value of 2.4302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-4-[(2-nitrobenzyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid. The TPSA of 127.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-chloro-4-[(2-nitrobenzyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid. Following Lipinski's Rule of Five, 6-chloro-4-[(2-nitrobenzyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid 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-[(2-nitrobenzyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
The CAS number of 6-chloro-4-[(2-nitrobenzyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid is 866134-66-9.
What is the molecular formula of 6-chloro-4-[(2-nitrobenzyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
The molecular formula of 6-chloro-4-[(2-nitrobenzyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid is C16H13ClN2O7S.
What is the molecular weight of 6-chloro-4-[(2-nitrobenzyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
The molecular weight of 6-chloro-4-[(2-nitrobenzyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid is 412.01 g/mol.
Where can I buy 6-chloro-4-[(2-nitrobenzyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
You can request a quote for 6-chloro-4-[(2-nitrobenzyl)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-chloro-4-[(2-nitrobenzyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-4-[(2-nitrobenzyl)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.