C14H7Cl2NO5S2
TL;DR: C14H7Cl2NO5S2 (CAS 1005136-68-4) is a chemical compound with molecular formula C14H7Cl2NO5S2 and molecular weight 402.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dichloro-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: 2,4-dichloro-6,10-dioxo-7H,9H,11bH,6aH-1,3-thiazolino[5',4'-6,5]thiino[3,4-c]c hromane-7-carboxylic acid, 8,10-dichloro-2,6-dioxo-2,3,5,5a,6,11b-hexahydrochromeno[4',3':4,5]thiopyrano[2,3-d]thiazole-5-carboxylic acid, 8,10-dichloro-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, C14H7Cl2NO5S2
| Molecular Formula | C14H7Cl2NO5S2 |
|---|---|
| Molecular Weight | 402.91 g/mol |
| LogP | 2.9692 |
| Topological Polar Surface Area | 96.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 402.91428 |
| Heavy Atoms | 24 |
| Complexity | 953.12683 |
Chemical Identifiers
| CAS Number | 1005136-68-4 |
|---|---|
| SMILES | C1=C(C=C(C2=C1C3C(C(SC4=C3SC(=O)N4)C(=O)O)C(=O)O2)Cl)Cl |
Product Overview
C14H7Cl2NO5S2 (CAS 1005136-68-4), with molecular formula C14H7Cl2NO5S2 and molecular weight 402.91 g/mol. IUPAC: 4,6-dichloro-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 C14H7Cl2NO5S2
Property Insights of C14H7Cl2NO5S2
The XLogP value of 2.9692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C14H7Cl2NO5S2. The TPSA of 96.46 Ų falls within the moderate polarity range, balancing permeability and solubility for C14H7Cl2NO5S2. Following Lipinski's Rule of Five, C14H7Cl2NO5S2 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 C14H7Cl2NO5S2?
The CAS number of C14H7Cl2NO5S2 is 1005136-68-4.
What is the molecular formula of C14H7Cl2NO5S2?
The molecular formula of C14H7Cl2NO5S2 is C14H7Cl2NO5S2.
What is the molecular weight of C14H7Cl2NO5S2?
The molecular weight of C14H7Cl2NO5S2 is 402.91 g/mol.
Where can I buy C14H7Cl2NO5S2?
You can request a quote for C14H7Cl2NO5S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H7Cl2NO5S2?
Yes, KEHONG BIO provides custom synthesis services for C14H7Cl2NO5S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.