Isobutaclamol
TL;DR: Isobutaclamol (CAS 58371-68-9) is a chemical compound with molecular formula C25H31NO and molecular weight 361.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-3-azapentacyclo[11.8.1.03,8.09,22.015,20]docosa-9,11,13(22),15,17,19-hexaen-6-ol
Also Known As: Isobutaclamol, isobutaclamol, (-)-isomer, isobutaclamol, (+-)-isomer, AY 23396, SID:134223838
| Molecular Formula | C25H31NO |
|---|---|
| Molecular Weight | 361.24 g/mol |
| LogP | 4.8448 |
| Topological Polar Surface Area | 23.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 361.24057 |
| Heavy Atoms | 27 |
| Complexity | 880.1329 |
Chemical Identifiers
| CAS Number | 58371-68-9 |
|---|---|
| SMILES | CC(C)(C)C1(CCN2CC3CC4=CC=CC=C4CC5=C3C(=CC=C5)C2C1)O |
Product Overview
Isobutaclamol (CAS 58371-68-9), with molecular formula C25H31NO and molecular weight 361.24 g/mol. IUPAC: 6-tert-butyl-3-azapentacyclo[11.8.1.03,8.09,22.015,20]docosa-9,11,13(22),15,17,19-hexaen-6-ol.
Chemical Property Profile of Isobutaclamol
Property Insights of Isobutaclamol
The XLogP value of 4.8448 indicates that Isobutaclamol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.47 Ų, Isobutaclamol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutaclamol has 1 hydrogen bond donor(s) and 2 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 Isobutaclamol?
The CAS number of Isobutaclamol is 58371-68-9.
What is the molecular formula of Isobutaclamol?
The molecular formula of Isobutaclamol is C25H31NO.
What is the molecular weight of Isobutaclamol?
The molecular weight of Isobutaclamol is 361.24 g/mol.
Where can I buy Isobutaclamol?
You can request a quote for Isobutaclamol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutaclamol?
Yes, KEHONG BIO provides custom synthesis services for Isobutaclamol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.