C14H9NO6S2
TL;DR: C14H9NO6S2 (CAS 1005183-41-4) is a chemical compound with molecular formula C14H9NO6S2 and molecular weight 350.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraene-11-carboxylic acid
Also Known As: 10-hydroxy-2,6-dioxo-2,3,5,5a,6,11b-hexahydrochromeno[4',3':4,5]thiopyrano[2,3-d]thiazole-5-carboxylic acid, 10-hydroxy-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
| Molecular Formula | C14H9NO6S2 |
|---|---|
| Molecular Weight | 350.99 g/mol |
| LogP | 1.368 |
| Topological Polar Surface Area | 116.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 350.98712 |
| Heavy Atoms | 23 |
| Complexity | 900.9127 |
Chemical Identifiers
| CAS Number | 1005183-41-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1O)C3C(C(SC4=C3SC(=O)N4)C(=O)O)C(=O)O2 |
Product Overview
C14H9NO6S2 (CAS 1005183-41-4), with molecular formula C14H9NO6S2 and molecular weight 350.99 g/mol. IUPAC: 4-hydroxy-9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraene-11-carboxylic acid.
Chemical Property Profile of C14H9NO6S2
Property Insights of C14H9NO6S2
The XLogP value of 1.368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C14H9NO6S2. The TPSA of 116.69 Ų falls within the moderate polarity range, balancing permeability and solubility for C14H9NO6S2. Following Lipinski's Rule of Five, C14H9NO6S2 has 3 hydrogen bond donor(s) and 7 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 C14H9NO6S2?
The CAS number of C14H9NO6S2 is 1005183-41-4.
What is the molecular formula of C14H9NO6S2?
The molecular formula of C14H9NO6S2 is C14H9NO6S2.
What is the molecular weight of C14H9NO6S2?
The molecular weight of C14H9NO6S2 is 350.99 g/mol.
Where can I buy C14H9NO6S2?
You can request a quote for C14H9NO6S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H9NO6S2?
Yes, KEHONG BIO provides custom synthesis services for C14H9NO6S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.