Hydroxybencyclane
TL;DR: Hydroxybencyclane (CAS 92033-06-2) is a chemical compound with molecular formula C19H31NO2 and molecular weight 305.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-(1R,4R)-4-benzyl-4-[3-(dimethylamino)propoxy]cycloheptan-1-ol
Also Known As: Hydroxybencyclane, KST-1A8910, (1r,4r)-4-benzyl-4-[3-(dimethylamino)propoxy]cycloheptanol, N-((Dimethylcarbamoyl)methyl)propionanilide, Propionanilide, N-((dimethylcarbamoyl)methyl)-
| Molecular Formula | C19H31NO2 |
|---|---|
| Molecular Weight | 305.24 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 305.23547 |
| Heavy Atoms | 22 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 92033-06-2 |
|---|---|
| SMILES | CN(C)CCCO[C@@]1(CCC[C@H](CC1)O)CC2=CC=CC=C2 |
| InChIKey | UOGZUHVCOKDWIM-RTBURBONSA-N |
Product Overview
Hydroxybencyclane (CAS 92033-06-2), with molecular formula C19H31NO2 and molecular weight 305.24 g/mol. IUPAC: cis-(1R,4R)-4-benzyl-4-[3-(dimethylamino)propoxy]cycloheptan-1-ol.
Chemical Property Profile of Hydroxybencyclane
Property Insights of Hydroxybencyclane
The XLogP value of 3.3 indicates that Hydroxybencyclane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, Hydroxybencyclane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydroxybencyclane has 1 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 Hydroxybencyclane?
The CAS number of Hydroxybencyclane is 92033-06-2.
What is the molecular formula of Hydroxybencyclane?
The molecular formula of Hydroxybencyclane is C19H31NO2.
What is the molecular weight of Hydroxybencyclane?
The molecular weight of Hydroxybencyclane is 305.24 g/mol.
Where can I buy Hydroxybencyclane?
You can request a quote for Hydroxybencyclane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxybencyclane?
Yes, KEHONG BIO provides custom synthesis services for Hydroxybencyclane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.