Veratramine, N-butyl-, hydrochloride
TL;DR: Veratramine, N-butyl-, hydrochloride (CAS 105043-98-9) is a chemical compound with molecular formula C31H48ClNO2 and molecular weight 501.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,5S)-2-[(1S)-1-[(3S,6aR,11aS,11bR)-3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-9-yl]ethyl]-1-butyl-5-methylpiperidin-3-ol;hydrochloride
Also Known As: N-Butylveratramine hydrochloride, Veratramine, N-butyl-, hydrochloride, 28-Butyl-14,15,16,17-tetradehydroveratraman-3,23-diol--hydrogen chloride (1/1), (23R)-28-Butyl-14,15,16,17-tetradehydroveratraman-3beta,23-diol--hydrogen chloride (1/1), (2S,3R,5S)-2-[(1S)-1-[(3S,6aR,11aS,11bR)-3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-9-yl]ethyl]-1-butyl-5-methylpiperidin-3-ol hydrochloride
| Molecular Formula | C31H48ClNO2 |
|---|---|
| Molecular Weight | 501.34 g/mol |
| LogP | 6.52882 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 501.33737 |
| Heavy Atoms | 35 |
| Complexity | 944.15594 |
Chemical Identifiers
| CAS Number | 105043-98-9 |
|---|---|
| SMILES | CCCCN1C[C@H](C[C@H]([C@@H]1[C@@H](C)C2=C(C3=C(C=C2)[C@@H]4CC=C5C[C@H](CC[C@@]5([C@H]4C3)C)O)C)O)C.Cl |
Product Overview
Veratramine, N-butyl-, hydrochloride (CAS 105043-98-9), with molecular formula C31H48ClNO2 and molecular weight 501.34 g/mol. IUPAC: (2S,3R,5S)-2-[(1S)-1-[(3S,6aR,11aS,11bR)-3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-9-yl]ethyl]-1-butyl-5-methylpiperidin-3-ol;hydrochloride.
Chemical Property Profile of Veratramine, N-butyl-, hydrochloride
Property Insights of Veratramine, N-butyl-, hydrochloride
The XLogP value of 6.52882 indicates that Veratramine, N-butyl-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.7 Ų, Veratramine, N-butyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Veratramine, N-butyl-, hydrochloride 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 Veratramine, N-butyl-, hydrochloride?
The CAS number of Veratramine, N-butyl-, hydrochloride is 105043-98-9.
What is the molecular formula of Veratramine, N-butyl-, hydrochloride?
The molecular formula of Veratramine, N-butyl-, hydrochloride is C31H48ClNO2.
What is the molecular weight of Veratramine, N-butyl-, hydrochloride?
The molecular weight of Veratramine, N-butyl-, hydrochloride is 501.34 g/mol.
Where can I buy Veratramine, N-butyl-, hydrochloride?
You can request a quote for Veratramine, N-butyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Veratramine, N-butyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Veratramine, N-butyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.