Pentamoxane hydrochloride
TL;DR: Pentamoxane hydrochloride (CAS 4729-93-5) is a chemical compound with molecular formula C14H22ClNO2 and molecular weight 271.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methylbutan-1-amine;hydrochloride
Also Known As: Pentamoxane hydrochloride, Pentamoxane HCl, 1,4-Benzodioxin-2-methanamine, 2,3-dihydro-N-(3-methylbutyl)-, hydrochloride, 1,4-BENZODIOXAN-2-METHYLAMINE, N-ISOPENTYL-, HYDROCHLORIDE, 1,4-BENZODIOXIN-2-METHANAMINE, 2,3-DIHYDRO-N-(3-METHYLBUTYL)-, HYDROCHLORIDE (1:1)
| Molecular Formula | C14H22ClNO2 |
|---|---|
| Molecular Weight | 271.13 g/mol |
| LogP | 2.8839 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.1339 |
| Heavy Atoms | 18 |
| Complexity | 357.40216 |
Chemical Identifiers
| CAS Number | 4729-93-5 |
|---|---|
| SMILES | CC(C)CCNCC1COC2=CC=CC=C2O1.Cl |
Product Overview
Pentamoxane hydrochloride (CAS 4729-93-5), with molecular formula C14H22ClNO2 and molecular weight 271.13 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methylbutan-1-amine;hydrochloride.
Chemical Property Profile of Pentamoxane hydrochloride
Property Insights of Pentamoxane hydrochloride
The XLogP value of 2.8839 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentamoxane hydrochloride. With a topological polar surface area (TPSA) of 30.49 Ų, Pentamoxane hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentamoxane hydrochloride 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 Pentamoxane hydrochloride?
The CAS number of Pentamoxane hydrochloride is 4729-93-5.
What is the molecular formula of Pentamoxane hydrochloride?
The molecular formula of Pentamoxane hydrochloride is C14H22ClNO2.
What is the molecular weight of Pentamoxane hydrochloride?
The molecular weight of Pentamoxane hydrochloride is 271.13 g/mol.
Where can I buy Pentamoxane hydrochloride?
You can request a quote for Pentamoxane hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentamoxane hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pentamoxane hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.