RefChem:1071734
TL;DR: RefChem:1071734 (CAS 17747-52-3) is a chemical compound with molecular formula C20H28ClNO2 and molecular weight 349.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12-methyl-12-azatricyclo[4.4.3.01,6]tridecan-3-yl) benzoate;hydrochloride
Also Known As: 4a,8a-(Methaniminomethano)naphthalen-2-ol, 1,2-alpha,3,4,5,6,7,8-octahydro-10-methyl-, benzoate (ester), hydrochloride, 4a,8a-(Methaniminomethano)naphthalen-2-ol, 1,2-beta,3,4,5,6,7,8-octahydro-10-methyl-, benzoate (ester), hydrochloride, 10-Methyloctahydro-4a,8a-(methanoiminomethano)naphthalen-2-yl benzoate--hydrogen chloride (1/1), RefChem:1071734
| Molecular Formula | C20H28ClNO2 |
|---|---|
| Molecular Weight | 349.18 g/mol |
| LogP | 4.3099 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.18085 |
| Heavy Atoms | 24 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 17747-52-3 |
|---|---|
| SMILES | CN1CC23CCCCC2(C1)CC(CC3)OC(=O)C4=CC=CC=C4.Cl |
| InChIKey | XWFDIFIQUJFYGV-UHFFFAOYSA-N |
Product Overview
RefChem:1071734 (CAS 17747-52-3), with molecular formula C20H28ClNO2 and molecular weight 349.18 g/mol. IUPAC: (12-methyl-12-azatricyclo[4.4.3.01,6]tridecan-3-yl) benzoate;hydrochloride.
Chemical Property Profile of RefChem:1071734
Property Insights of RefChem:1071734
The XLogP value of 4.3099 indicates that RefChem:1071734 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:1071734 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1071734 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 RefChem:1071734?
The CAS number of RefChem:1071734 is 17747-52-3.
What is the molecular formula of RefChem:1071734?
The molecular formula of RefChem:1071734 is C20H28ClNO2.
What is the molecular weight of RefChem:1071734?
The molecular weight of RefChem:1071734 is 349.18 g/mol.
Where can I buy RefChem:1071734?
You can request a quote for RefChem:1071734 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071734?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071734 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.