![1,2,3,4,7,7-hexachloro-5-methoxycarbonylbicyclo[2.2.1]hept-2 structure](/static/products/962/962-85-6.png)
1,2,3,4,7,7-hexachloro-5-methoxycarbonylbicyclo[2.2.1]hept-2
TL;DR: 1,2,3,4,7,7-hexachloro-5-methoxycarbonylbicyclo[2.2.1]hept-2 (CAS 962-85-6) is a chemical compound with molecular formula C10H6Cl6O4 and molecular weight 399.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,5,6,7,7-hexachloro-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: 1,2,3,4,7,7-hexachloro-5-methoxycarbonylbicyclo[2.2.1]hept-2, 1,4,5,6,7,7-hexachloro-3-(methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 1,2,3,4,7,7-hexachloro-5-methoxycarbonylbicyclo[2.2.1]hept-2-ene-6-carboxylic acid, 1,4,5,6,7,7-Hexachloro-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
| Molecular Formula | C10H6Cl6O4 |
|---|---|
| Molecular Weight | 399.84 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.83972 |
| Heavy Atoms | 20 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 962-85-6 |
|---|---|
| SMILES | COC(=O)C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O |
| InChIKey | QKWFVUXZTLJYQY-UHFFFAOYSA-N |
Product Overview
1,2,3,4,7,7-hexachloro-5-methoxycarbonylbicyclo[2.2.1]hept-2 (CAS 962-85-6), with molecular formula C10H6Cl6O4 and molecular weight 399.84 g/mol. IUPAC: 1,4,5,6,7,7-hexachloro-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of 1,2,3,4,7,7-hexachloro-5-methoxycarbonylbicyclo[2.2.1]hept-2
Property Insights of 1,2,3,4,7,7-hexachloro-5-methoxycarbonylbicyclo[2.2.1]hept-2
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4,7,7-hexachloro-5-methoxycarbonylbicyclo[2.2.1]hept-2. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3,4,7,7-hexachloro-5-methoxycarbonylbicyclo[2.2.1]hept-2. Following Lipinski's Rule of Five, 1,2,3,4,7,7-hexachloro-5-methoxycarbonylbicyclo[2.2.1]hept-2 has 1 hydrogen bond donor(s) and 4 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 1,2,3,4,7,7-hexachloro-5-methoxycarbonylbicyclo[2.2.1]hept-2?
The CAS number of 1,2,3,4,7,7-hexachloro-5-methoxycarbonylbicyclo[2.2.1]hept-2 is 962-85-6.
What is the molecular formula of 1,2,3,4,7,7-hexachloro-5-methoxycarbonylbicyclo[2.2.1]hept-2?
The molecular formula of 1,2,3,4,7,7-hexachloro-5-methoxycarbonylbicyclo[2.2.1]hept-2 is C10H6Cl6O4.
What is the molecular weight of 1,2,3,4,7,7-hexachloro-5-methoxycarbonylbicyclo[2.2.1]hept-2?
The molecular weight of 1,2,3,4,7,7-hexachloro-5-methoxycarbonylbicyclo[2.2.1]hept-2 is 399.84 g/mol.
Where can I buy 1,2,3,4,7,7-hexachloro-5-methoxycarbonylbicyclo[2.2.1]hept-2?
You can request a quote for 1,2,3,4,7,7-hexachloro-5-methoxycarbonylbicyclo[2.2.1]hept-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4,7,7-hexachloro-5-methoxycarbonylbicyclo[2.2.1]hept-2?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,7,7-hexachloro-5-methoxycarbonylbicyclo[2.2.1]hept-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.