中国蓟醇
TL;DR: 中国蓟醇 (CAS 41365-32-6) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
中国蓟醇
3-(4-methoxyphenyl)-3-oxopropanenitrile
Also Known As: 4-Methoxybenzoylacetonitrile, 3-(4-methoxyphenyl)-3-oxopropanenitrile, Acetanisole, 4-Acetylanisole, 4-Acetoanisole
| Molecular Formula | C10H9NO2 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.06332 |
| Heavy Atoms | 13 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 41365-32-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CC#N |
| InChIKey | IKEPUFCALLUUBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
中国蓟醇 (CAS 41365-32-6), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: 3-(4-methoxyphenyl)-3-oxopropanenitrile.
Chemical Property Profile of 中国蓟醇
Property Insights of 中国蓟醇
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 中国蓟醇. With a topological polar surface area (TPSA) of 50.1 Ų, 中国蓟醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 中国蓟醇 has 0 hydrogen bond donor(s) and 3 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 中国蓟醇?
The CAS number of 中国蓟醇 is 41365-32-6.
What is the molecular formula of 中国蓟醇?
The molecular formula of 中国蓟醇 is C10H9NO2.
What is the molecular weight of 中国蓟醇?
The molecular weight of 中国蓟醇 is 175.06 g/mol.
Where can I buy 中国蓟醇?
You can request a quote for 中国蓟醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 中国蓟醇?
Yes, KEHONG BIO provides custom synthesis services for 中国蓟醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.