4-Hydroxypenbutolol
TL;DR: 4-Hydroxypenbutolol (CAS 86197-03-7) is a chemical compound with molecular formula C18H29NO3 and molecular weight 307.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3-cyclopentylphenol
Also Known As: 4-Hydroxypenbutolol, 4'-HYDROXYPENBUTOLOL, 4-OH-PB, (S)-4-Hydroxy Penbutolol Hydrochloride, 4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3-cyclopentylphenol
| Molecular Formula | C18H29NO3 |
|---|---|
| Molecular Weight | 307.21 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 307.21475 |
| Heavy Atoms | 22 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 86197-03-7 |
|---|---|
| SMILES | CC(C)(C)NC[C@@H](COC1=C(C=C(C=C1)O)C2CCCC2)O |
| InChIKey | PYXBIIXXYVBVLU-HNNXBMFYSA-N |
Product Overview
4-Hydroxypenbutolol (CAS 86197-03-7), with molecular formula C18H29NO3 and molecular weight 307.21 g/mol. IUPAC: 4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3-cyclopentylphenol.
Chemical Property Profile of 4-Hydroxypenbutolol
Property Insights of 4-Hydroxypenbutolol
The XLogP value of 3.8 indicates that 4-Hydroxypenbutolol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxypenbutolol. Following Lipinski's Rule of Five, 4-Hydroxypenbutolol has 3 hydrogen bond donor(s) and 4 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 4-Hydroxypenbutolol?
The CAS number of 4-Hydroxypenbutolol is 86197-03-7.
What is the molecular formula of 4-Hydroxypenbutolol?
The molecular formula of 4-Hydroxypenbutolol is C18H29NO3.
What is the molecular weight of 4-Hydroxypenbutolol?
The molecular weight of 4-Hydroxypenbutolol is 307.21 g/mol.
Where can I buy 4-Hydroxypenbutolol?
You can request a quote for 4-Hydroxypenbutolol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxypenbutolol?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxypenbutolol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.