B 1396
TL;DR: B 1396 (CAS 136996-76-4) is a chemical compound with molecular formula C17H24ClN3O3S and molecular weight 385.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-hydroxy-3-[(4-methyl-1,3-thiazol-5-yl)oxy]propyl]piperazin-1-yl]phenol;hydrochloride
Also Known As: B 1396, Phenol, 2-(4-(2-hydroxy-3-((4-methyl-5-thiazolyl)oxy)propyl)-1-piperazinyl)-, monohydrochloride, 3-(4-o-Hydroxyphenylpiperazin-1-yl)-1-(4-methylthiazolyl-5-oxy)propan-2-ol hydrochloride, 2-(4-{2-Hydroxy-3-[(4-methyl-1,3-thiazol-5-yl)oxy]propyl}piperazin-1-yl)phenol--hydrogen chloride (1/1), 2-[4-[2-hydroxy-3-[(4-methyl-1,3-thiazol-5-yl)oxy]propyl]piperazin-1-yl]phenol hydrochloride
| Molecular Formula | C17H24ClN3O3S |
|---|---|
| Molecular Weight | 385.12 g/mol |
| LogP | 2.14082 |
| Topological Polar Surface Area | 69.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.12268 |
| Heavy Atoms | 25 |
| Complexity | 662.0925 |
Chemical Identifiers
| CAS Number | 136996-76-4 |
|---|---|
| SMILES | CC1=C(SC=N1)OCC(CN2CCN(CC2)C3=CC=CC=C3O)O.Cl |
Product Overview
B 1396 (CAS 136996-76-4), with molecular formula C17H24ClN3O3S and molecular weight 385.12 g/mol. IUPAC: 2-[4-[2-hydroxy-3-[(4-methyl-1,3-thiazol-5-yl)oxy]propyl]piperazin-1-yl]phenol;hydrochloride.
Chemical Property Profile of B 1396
Property Insights of B 1396
The XLogP value of 2.14082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for B 1396. The TPSA of 69.06 Ų falls within the moderate polarity range, balancing permeability and solubility for B 1396. Following Lipinski's Rule of Five, B 1396 has 2 hydrogen bond donor(s) and 7 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 1396?
The CAS number of B 1396 is 136996-76-4.
What is the molecular formula of B 1396?
The molecular formula of B 1396 is C17H24ClN3O3S.
What is the molecular weight of B 1396?
The molecular weight of B 1396 is 385.12 g/mol.
Where can I buy B 1396?
You can request a quote for B 1396 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for B 1396?
Yes, KEHONG BIO provides custom synthesis services for B 1396 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.