ChemDiv2_001110
TL;DR: ChemDiv2_001110 (CAS 791815-38-8) is a chemical compound with molecular formula C14H9NO5S2 and molecular weight 334.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17)-tetraene-11-carboxylic acid
Also Known As: ChemDiv2_001110, AF-399/41368457, 6,10-dioxo-7H,9H,11bH,6aH-1,3-thiazolino[5',4'-6,5]thiino[3,4-c]chromane-7-car boxylic acid, 2,6-dioxo-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid, 2,6-dioxo-2,3,5,5a,6,11b-hexahydrochromeno[4',3':4,5]thiopyrano[2,3-d]thiazole-5-carboxylic acid
| Molecular Formula | C14H9NO5S2 |
|---|---|
| Molecular Weight | 334.99 g/mol |
| LogP | 1.6624 |
| Topological Polar Surface Area | 96.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 334.99222 |
| Heavy Atoms | 22 |
| Complexity | 854.91327 |
Chemical Identifiers
| CAS Number | 791815-38-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3C(C(SC4=C3SC(=O)N4)C(=O)O)C(=O)O2 |
Product Overview
ChemDiv2_001110 (CAS 791815-38-8), with molecular formula C14H9NO5S2 and molecular weight 334.99 g/mol. IUPAC: 9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17)-tetraene-11-carboxylic acid.
Chemical Property Profile of ChemDiv2_001110
Property Insights of ChemDiv2_001110
The XLogP value of 1.6624 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_001110. The TPSA of 96.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_001110. Following Lipinski's Rule of Five, ChemDiv2_001110 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 ChemDiv2_001110?
The CAS number of ChemDiv2_001110 is 791815-38-8.
What is the molecular formula of ChemDiv2_001110?
The molecular formula of ChemDiv2_001110 is C14H9NO5S2.
What is the molecular weight of ChemDiv2_001110?
The molecular weight of ChemDiv2_001110 is 334.99 g/mol.
Where can I buy ChemDiv2_001110?
You can request a quote for ChemDiv2_001110 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_001110?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_001110 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.