C12H8Cl6O4
TL;DR: C12H8Cl6O4 (CAS 5103-66-2) 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.
(1R,2S,3R,5S,6R,7S)-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-, (1alpha,3alpha,3aalpha,4beta,7beta,7aalpha)-
| 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 | 5103-66-2 |
|---|---|
| SMILES | C1[C@H]([C@H]2[C@@H]([C@H]1C(=O)O)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O |
Product Overview
C12H8Cl6O4 (CAS 5103-66-2), with molecular formula C12H8Cl6O4 and molecular weight 425.86 g/mol. IUPAC: (1R,2S,3R,5S,6R,7S)-1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]dec-8-ene-3,5-dicarboxylic acid.
Chemical Property Profile of C12H8Cl6O4
Property Insights of C12H8Cl6O4
The XLogP value of 3.8696 indicates that C12H8Cl6O4 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 C12H8Cl6O4. Following Lipinski's Rule of Five, C12H8Cl6O4 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 C12H8Cl6O4?
The CAS number of C12H8Cl6O4 is 5103-66-2.
What is the molecular formula of C12H8Cl6O4?
The molecular formula of C12H8Cl6O4 is C12H8Cl6O4.
What is the molecular weight of C12H8Cl6O4?
The molecular weight of C12H8Cl6O4 is 425.86 g/mol.
Where can I buy C12H8Cl6O4?
You can request a quote for C12H8Cl6O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12H8Cl6O4?
Yes, KEHONG BIO provides custom synthesis services for C12H8Cl6O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.