4a-Chlorodecahydronaphthalene
TL;DR: 4a-Chlorodecahydronaphthalene (CAS 91897-48-2) is a chemical compound with molecular formula C10H17Cl and molecular weight 172.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8a-chloro-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
Also Known As: 9-chlorodecaline, 4a-chlorodecahydronaphthalene, trans-9-chlorodecalin, 4a-Chlor-decahydro-naphthalin, 8a-chloro-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
| Molecular Formula | C10H17Cl |
|---|---|
| Molecular Weight | 172.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.10188 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 91897-48-2 |
|---|---|
| SMILES | C1CCC2(CCCCC2C1)Cl |
| InChIKey | SXDYKBKQAWLGRZ-UHFFFAOYSA-N |
Product Overview
4a-Chlorodecahydronaphthalene (CAS 91897-48-2), with molecular formula C10H17Cl and molecular weight 172.10 g/mol. IUPAC: 8a-chloro-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene.
Chemical Property Profile of 4a-Chlorodecahydronaphthalene
Property Insights of 4a-Chlorodecahydronaphthalene
The XLogP value of 3.7 indicates that 4a-Chlorodecahydronaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4a-Chlorodecahydronaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4a-Chlorodecahydronaphthalene has 0 hydrogen bond donor(s) and 0 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 4a-Chlorodecahydronaphthalene?
The CAS number of 4a-Chlorodecahydronaphthalene is 91897-48-2.
What is the molecular formula of 4a-Chlorodecahydronaphthalene?
The molecular formula of 4a-Chlorodecahydronaphthalene is C10H17Cl.
What is the molecular weight of 4a-Chlorodecahydronaphthalene?
The molecular weight of 4a-Chlorodecahydronaphthalene is 172.10 g/mol.
Where can I buy 4a-Chlorodecahydronaphthalene?
You can request a quote for 4a-Chlorodecahydronaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a-Chlorodecahydronaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 4a-Chlorodecahydronaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.