AB00107692-01
TL;DR: AB00107692-01 (CAS 381186-33-0) is a chemical compound with molecular formula C33H35NO3 and molecular weight 493.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
Also Known As: AB00107692-01, {4-[(1-hydroxycyclohexyl)ethynyl]phenyl}{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}methanone, [4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
| Molecular Formula | C33H35NO3 |
|---|---|
| Molecular Weight | 493.26 g/mol |
| LogP | 5.5216 |
| Topological Polar Surface Area | 60.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 493.2617 |
| Heavy Atoms | 37 |
| Complexity | 1204.1753 |
Chemical Identifiers
| CAS Number | 381186-33-0 |
|---|---|
| SMILES | C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)O |
Product Overview
AB00107692-01 (CAS 381186-33-0), with molecular formula C33H35NO3 and molecular weight 493.26 g/mol. IUPAC: [4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone.
Chemical Property Profile of AB00107692-01
Property Insights of AB00107692-01
The XLogP value of 5.5216 indicates that AB00107692-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.77 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00107692-01. Following Lipinski's Rule of Five, AB00107692-01 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00107692-01?
The CAS number of AB00107692-01 is 381186-33-0.
What is the molecular formula of AB00107692-01?
The molecular formula of AB00107692-01 is C33H35NO3.
What is the molecular weight of AB00107692-01?
The molecular weight of AB00107692-01 is 493.26 g/mol.
Where can I buy AB00107692-01?
You can request a quote for AB00107692-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00107692-01?
Yes, KEHONG BIO provides custom synthesis services for AB00107692-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.