RefChem:385134
TL;DR: RefChem:385134 (CAS 64048-03-9) is a chemical compound with molecular formula C14H19N3OS and molecular weight 277.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-hydroxy-3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl] thiocyanate
Also Known As: 5-chloro-pentylsulfanyl cyanate, Thiocyanic acid, 4-hydroxy-3-methyl-5-((4-methyl-1-piperazinyl)methyl)phenyl ester, Thiocyanic acid, 4-hydroxy-alpha-3-(4-methyl-1-piperazinyl)-3,5-xylyl ester, [4-hydroxy-3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl] thiocyanate, 4-hydroxy-3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenylthiocyanate
| Molecular Formula | C14H19N3OS |
|---|---|
| Molecular Weight | 277.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 75.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.12488 |
| Heavy Atoms | 19 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 64048-03-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)CN2CCN(CC2)C)SC#N |
| InChIKey | CIFJNUWLLYWPCE-UHFFFAOYSA-N |
Product Overview
RefChem:385134 (CAS 64048-03-9), with molecular formula C14H19N3OS and molecular weight 277.12 g/mol. IUPAC: [4-hydroxy-3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl] thiocyanate.
Chemical Property Profile of RefChem:385134
Property Insights of RefChem:385134
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:385134. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:385134. Following Lipinski's Rule of Five, RefChem:385134 has 1 hydrogen bond donor(s) and 5 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 RefChem:385134?
The CAS number of RefChem:385134 is 64048-03-9.
What is the molecular formula of RefChem:385134?
The molecular formula of RefChem:385134 is C14H19N3OS.
What is the molecular weight of RefChem:385134?
The molecular weight of RefChem:385134 is 277.12 g/mol.
Where can I buy RefChem:385134?
You can request a quote for RefChem:385134 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:385134?
Yes, KEHONG BIO provides custom synthesis services for RefChem:385134 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.