Butaclamol Hydrochloride
TL;DR: Butaclamol Hydrochloride (CAS 36504-94-6) is a chemical compound with molecular formula C25H32ClNO and molecular weight 397.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,6R,8R)-6-tert-butyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-9,11,13(22),16,18,20-hexaen-6-ol;hydrochloride
Also Known As: Butaclamol HCl, BUTACLAMOL HYDROCHLORIDE, (-)-Butaclamol hydrochloride, 3-MercaptotyramineHCl, -BUTACLAMOLHCL
| Molecular Formula | C25H32ClNO |
|---|---|
| Molecular Weight | 397.22 g/mol |
| LogP | 5.27 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 397.21725 |
| Heavy Atoms | 28 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 36504-94-6 |
|---|---|
| SMILES | CC(C)(C)[C@]1(CCN2C[C@@H]3C4=CC=CC=C4CCC5=C3C(=CC=C5)[C@H]2C1)O.Cl |
| InChIKey | QZRUMKUMFJJARD-OMMJFLKZSA-N |
Product Overview
Butaclamol Hydrochloride (CAS 36504-94-6), with molecular formula C25H32ClNO and molecular weight 397.22 g/mol. IUPAC: (1R,6R,8R)-6-tert-butyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-9,11,13(22),16,18,20-hexaen-6-ol;hydrochloride.
Chemical Property Profile of Butaclamol Hydrochloride
Property Insights of Butaclamol Hydrochloride
The XLogP value of 5.27 indicates that Butaclamol Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, Butaclamol Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butaclamol Hydrochloride has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butaclamol Hydrochloride?
The CAS number of Butaclamol Hydrochloride is 36504-94-6.
What is the molecular formula of Butaclamol Hydrochloride?
The molecular formula of Butaclamol Hydrochloride is C25H32ClNO.
What is the molecular weight of Butaclamol Hydrochloride?
The molecular weight of Butaclamol Hydrochloride is 397.22 g/mol.
Where can I buy Butaclamol Hydrochloride?
You can request a quote for Butaclamol Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butaclamol Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Butaclamol Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.