7X-0353
TL;DR: 7X-0353 (CAS 866134-99-8) is a chemical compound with molecular formula C18H14F3NO7S and molecular weight 445.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(carboxymethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
Also Known As: 7X-0353, 6-(carboxymethyl)-4-{[3-(trifluoromethyl)phenyl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid, 6-(carboxymethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid, 6-(carboxymethyl)-4-[3-(trifluoromethyl)benzenesulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid, 6-(CARBOXYMETHYL)-4-([3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-2-CARBOXYLIC ACID
| Molecular Formula | C18H14F3NO7S |
|---|---|
| Molecular Weight | 445.04 g/mol |
| LogP | 2.3734 |
| Topological Polar Surface Area | 121.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.0443 |
| Heavy Atoms | 30 |
| Complexity | 1115.0034 |
Chemical Identifiers
| CAS Number | 866134-99-8 |
|---|---|
| SMILES | C1C(OC2=C(N1S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C=C(C=C2)CC(=O)O)C(=O)O |
Product Overview
7X-0353 (CAS 866134-99-8), with molecular formula C18H14F3NO7S and molecular weight 445.04 g/mol. IUPAC: 6-(carboxymethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid.
Chemical Property Profile of 7X-0353
Property Insights of 7X-0353
The XLogP value of 2.3734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7X-0353. The TPSA of 121.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 7X-0353. Following Lipinski's Rule of Five, 7X-0353 has 2 hydrogen bond donor(s) and 5 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 7X-0353?
The CAS number of 7X-0353 is 866134-99-8.
What is the molecular formula of 7X-0353?
The molecular formula of 7X-0353 is C18H14F3NO7S.
What is the molecular weight of 7X-0353?
The molecular weight of 7X-0353 is 445.04 g/mol.
Where can I buy 7X-0353?
You can request a quote for 7X-0353 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7X-0353?
Yes, KEHONG BIO provides custom synthesis services for 7X-0353 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.