C12-H8-Cl6-O4
TL;DR: C12-H8-Cl6-O4 (CAS 41839-28-5) is a chemical compound with molecular formula C12H8Cl6O4 and molecular weight 425.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]dec-8-ene-3,5-dicarboxylic acid
Also Known As: SD 2878, 4,7-Methano-1H-indene-1,3-dicarboxylic acid, 4,5,6,7,8,8-hexachloro-2,3,3a,4,7,7a-hexahydro-, 4,5,6,7,8,8-Hexachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene-1,3-dicarboxylic acid
| Molecular Formula | C12H8Cl6O4 |
|---|---|
| Molecular Weight | 425.86 g/mol |
| LogP | 3.8696 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 425.85538 |
| Heavy Atoms | 22 |
| Complexity | 583.106 |
Chemical Identifiers
| CAS Number | 41839-28-5 |
|---|---|
| SMILES | C1C(C2C(C1C(=O)O)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O |
Product Overview
C12-H8-Cl6-O4 (CAS 41839-28-5), with molecular formula C12H8Cl6O4 and molecular weight 425.86 g/mol. IUPAC: 1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]dec-8-ene-3,5-dicarboxylic acid.
Chemical Property Profile of C12-H8-Cl6-O4
Property Insights of C12-H8-Cl6-O4
The XLogP value of 3.8696 indicates that C12-H8-Cl6-O4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for C12-H8-Cl6-O4. Following Lipinski's Rule of Five, C12-H8-Cl6-O4 has 2 hydrogen bond donor(s) and 2 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 C12-H8-Cl6-O4?
The CAS number of C12-H8-Cl6-O4 is 41839-28-5.
What is the molecular formula of C12-H8-Cl6-O4?
The molecular formula of C12-H8-Cl6-O4 is C12H8Cl6O4.
What is the molecular weight of C12-H8-Cl6-O4?
The molecular weight of C12-H8-Cl6-O4 is 425.86 g/mol.
Where can I buy C12-H8-Cl6-O4?
You can request a quote for C12-H8-Cl6-O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12-H8-Cl6-O4?
Yes, KEHONG BIO provides custom synthesis services for C12-H8-Cl6-O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.