SD 7231
TL;DR: SD 7231 (CAS 4794-20-1) is a chemical compound with molecular formula C11H6Cl4O3 and molecular weight 325.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,8,9-tetrachloro-11-oxatetracyclo[4.4.1.12,5.01,6]dodec-8-ene-7,10-dione
Also Known As: Shell SD 7231, Shell SD-7231, SD 7231, 2,3,6,7-Tetrachloro-4a,8a-epoxy-1,2,3,4,4a,8a-hexahydro-1,4-methanonaphthalene-5,8-dione, 4a,8a-Epoxy-1,4-methanonaphthalene-5,8-dione, 2,3,6,7-tetrachloro-1,2,3,4-tetrahydro-
| Molecular Formula | C11H6Cl4O3 |
|---|---|
| Molecular Weight | 325.91 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 46.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 325.9071 |
| Heavy Atoms | 18 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 4794-20-1 |
|---|---|
| SMILES | C1C2C(C(C1C34C2(O3)C(=O)C(=C(C4=O)Cl)Cl)Cl)Cl |
| InChIKey | XDZZXKHCIOPHDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
SD 7231 (CAS 4794-20-1), with molecular formula C11H6Cl4O3 and molecular weight 325.91 g/mol. IUPAC: 3,4,8,9-tetrachloro-11-oxatetracyclo[4.4.1.12,5.01,6]dodec-8-ene-7,10-dione.
Chemical Property Profile of SD 7231
Property Insights of SD 7231
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SD 7231. With a topological polar surface area (TPSA) of 46.7 Ų, SD 7231 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, SD 7231 has 0 hydrogen bond donor(s) and 3 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 SD 7231?
The CAS number of SD 7231 is 4794-20-1.
What is the molecular formula of SD 7231?
The molecular formula of SD 7231 is C11H6Cl4O3.
What is the molecular weight of SD 7231?
The molecular weight of SD 7231 is 325.91 g/mol.
Where can I buy SD 7231?
You can request a quote for SD 7231 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SD 7231?
Yes, KEHONG BIO provides custom synthesis services for SD 7231 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.