NSC 91800
TL;DR: NSC 91800 (CAS 157496-34-9) is a chemical compound with molecular formula C15H6Cl12 and molecular weight 605.67 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,5,6,7,11,12,13,14,14,15,15-dodecachloropentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene
Also Known As: KST-1B0723, 1,2,3,4,5,6,7,8,10,10,11,11-dodecachloro-4,4a,4b,5,8,8a,9,9a-octahydro-1h-1,4:5,8-dimethanofluorene, 1,4,5,6,7,11,12,13,14,14,15,15-Dodecachloropentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene, 1,2,3,4,5,6,7,8,10,10,11,11-Dodecachloro-4,4a,4b,5,8,8a,9,9a-octahydro-1,4:5,8-dimethano-1H-fluorene, (+-)-1.2.3.4.5.6.7.8.10.10.11.11-dodecachloro-(4arH.4btH.8atH.9acH)-1.4.4a.4b.5.8.8a.9a-octahydro-1c.4c:5t.8t-dimethano-fluorene
| Molecular Formula | C15H6Cl12 |
|---|---|
| Molecular Weight | 605.67 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 605.67316 |
| Heavy Atoms | 27 |
| Complexity | 806.0 |
Chemical Identifiers
| CAS Number | 157496-34-9 |
|---|---|
| SMILES | C1C2C(C3C1C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)C5(C(=C(C2(C5(Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | FUVVGRBPINDFIQ-UHFFFAOYSA-N |
Product Overview
NSC 91800 (CAS 157496-34-9), with molecular formula C15H6Cl12 and molecular weight 605.67 g/mol. IUPAC: 1,4,5,6,7,11,12,13,14,14,15,15-dodecachloropentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene.
Chemical Property Profile of NSC 91800
Property Insights of NSC 91800
The XLogP value of 6.9 indicates that NSC 91800 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, NSC 91800 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NSC 91800 has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NSC 91800?
The CAS number of NSC 91800 is 157496-34-9.
What is the molecular formula of NSC 91800?
The molecular formula of NSC 91800 is C15H6Cl12.
What is the molecular weight of NSC 91800?
The molecular weight of NSC 91800 is 605.67 g/mol.
Where can I buy NSC 91800?
You can request a quote for NSC 91800 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NSC 91800?
Yes, KEHONG BIO provides custom synthesis services for NSC 91800 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.