Shell SD-3450
TL;DR: Shell SD-3450 (CAS 14458-95-8) is a chemical compound with molecular formula C10H6Cl6N2O and molecular weight 379.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8,9,10,11,11-hexachloro-4-oxido-5-aza-4-azoniatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene
Also Known As: Shell SD-3450, SD 3450, ENT 25582, AI3-25582, 4-23-00-01184 (Beilstein Handbook Reference)
| Molecular Formula | C10H6Cl6N2O |
|---|---|
| Molecular Weight | 379.86 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 381.8582 |
| Heavy Atoms | 19 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 14458-95-8 |
|---|---|
| SMILES | C1C2C3C(C1[N+](=N2)[O-])C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | VYPDNJFWSQKSHQ-UHFFFAOYSA-N |
Product Overview
Shell SD-3450 (CAS 14458-95-8), with molecular formula C10H6Cl6N2O and molecular weight 379.86 g/mol. IUPAC: 1,8,9,10,11,11-hexachloro-4-oxido-5-aza-4-azoniatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene.
Chemical Property Profile of Shell SD-3450
Property Insights of Shell SD-3450
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Shell SD-3450. With a topological polar surface area (TPSA) of 41.1 Ų, Shell SD-3450 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Shell SD-3450 has 0 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 Shell SD-3450?
The CAS number of Shell SD-3450 is 14458-95-8.
What is the molecular formula of Shell SD-3450?
The molecular formula of Shell SD-3450 is C10H6Cl6N2O.
What is the molecular weight of Shell SD-3450?
The molecular weight of Shell SD-3450 is 379.86 g/mol.
Where can I buy Shell SD-3450?
You can request a quote for Shell SD-3450 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Shell SD-3450?
Yes, KEHONG BIO provides custom synthesis services for Shell SD-3450 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.