B 1406
TL;DR: B 1406 (CAS 136996-77-5) is a chemical compound with molecular formula C18H25Cl2N3O2S and molecular weight 417.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-3-[(4-methyl-1,3-thiazol-5-yl)oxy]propan-2-ol;hydrochloride
Also Known As: B 1406, 1-Piperazineethanol, 4-(4-chloro-2-methylphenyl)-alpha-(((4-methyl-5-thiazolyl)oxy)methyl)-, monohydrochloride, 3-(4-(4-Chloro-2-methylphenyl)piperazin-1-yl)-1-(4-methylthiazolyl-5-oxy)propan-2-ol HCl, 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-3-[(4-methyl-1,3-thiazol-5-yl)oxy]propan-2-ol hydrochloride, 1-[4-(4-Chloro-2-methylphenyl)piperazin-1-yl]-3-[(4-methyl-1,3-thiazol-5-yl)oxy]propan-2-ol--hydrogen chloride (1/1)
| Molecular Formula | C18H25Cl2N3O2S |
|---|---|
| Molecular Weight | 417.10 g/mol |
| LogP | 3.39704 |
| Topological Polar Surface Area | 48.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.10446 |
| Heavy Atoms | 26 |
| Complexity | 705.4947 |
Chemical Identifiers
| CAS Number | 136996-77-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)N2CCN(CC2)CC(COC3=C(N=CS3)C)O.Cl |
Product Overview
B 1406 (CAS 136996-77-5), with molecular formula C18H25Cl2N3O2S and molecular weight 417.10 g/mol. IUPAC: 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-3-[(4-methyl-1,3-thiazol-5-yl)oxy]propan-2-ol;hydrochloride.
Chemical Property Profile of B 1406
Property Insights of B 1406
The XLogP value of 3.39704 indicates that B 1406 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.83 Ų, B 1406 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, B 1406 has 1 hydrogen bond donor(s) and 6 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 B 1406?
The CAS number of B 1406 is 136996-77-5.
What is the molecular formula of B 1406?
The molecular formula of B 1406 is C18H25Cl2N3O2S.
What is the molecular weight of B 1406?
The molecular weight of B 1406 is 417.10 g/mol.
Where can I buy B 1406?
You can request a quote for B 1406 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for B 1406?
Yes, KEHONG BIO provides custom synthesis services for B 1406 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.