四氢噻喃-4-醇
TL;DR: 四氢噻喃-4-醇 (CAS 29683-23-6) is a chemical compound with molecular formula C9H8N2O and molecular weight 160.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
四氢噻喃-4-醇
N-(2-cyanophenyl)acetamide
Also Known As: N-(2-cyanophenyl)acetamide, 2-Acetamidobenzonitrile, N- acetamide, Acetanilide, 2-cyano-, 2 -Cyanoacetoanilide
| Molecular Formula | C9H8N2O |
|---|---|
| Molecular Weight | 160.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.06366 |
| Heavy Atoms | 12 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 29683-23-6 |
|---|---|
| SMILES | CC(=O)NC1=CC=CC=C1C#N |
| InChIKey | RTGPZUVDPPNGNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
四氢噻喃-4-醇 (CAS 29683-23-6), with molecular formula C9H8N2O and molecular weight 160.06 g/mol. IUPAC: N-(2-cyanophenyl)acetamide.
Chemical Property Profile of 四氢噻喃-4-醇
Property Insights of 四氢噻喃-4-醇
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 四氢噻喃-4-醇. With a topological polar surface area (TPSA) of 52.9 Ų, 四氢噻喃-4-醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 四氢噻喃-4-醇 has 1 hydrogen bond donor(s) and 2 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 四氢噻喃-4-醇?
The CAS number of 四氢噻喃-4-醇 is 29683-23-6.
What is the molecular formula of 四氢噻喃-4-醇?
The molecular formula of 四氢噻喃-4-醇 is C9H8N2O.
What is the molecular weight of 四氢噻喃-4-醇?
The molecular weight of 四氢噻喃-4-醇 is 160.06 g/mol.
Where can I buy 四氢噻喃-4-醇?
You can request a quote for 四氢噻喃-4-醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 四氢噻喃-4-醇?
Yes, KEHONG BIO provides custom synthesis services for 四氢噻喃-4-醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.