3-(3,5-二甲基苯氧基)丙腈
TL;DR: 3-(3,5-二甲基苯氧基)丙腈 (CAS 3649-02-3) is a chemical compound with molecular formula C11H13NO and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-二甲基苯氧基)丙腈
3-(3,5-dimethylphenoxy)propanenitrile
Also Known As: 3-(3,5-dimethylphenoxy)propanenitrile, Maybridge1_000172, MixCom1_000326, 3-(3,5-dimethyl-phenoxy)-propionitrile
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 3649-02-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OCCC#N)C |
| InChIKey | FAMVYTPKIAGELT-UHFFFAOYSA-N |
Product Overview
3-(3,5-二甲基苯氧基)丙腈 (CAS 3649-02-3), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: 3-(3,5-dimethylphenoxy)propanenitrile.
Chemical Property Profile of 3-(3,5-二甲基苯氧基)丙腈
Property Insights of 3-(3,5-二甲基苯氧基)丙腈
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,5-二甲基苯氧基)丙腈. With a topological polar surface area (TPSA) of 33.0 Ų, 3-(3,5-二甲基苯氧基)丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,5-二甲基苯氧基)丙腈 has 0 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 3-(3,5-二甲基苯氧基)丙腈?
The CAS number of 3-(3,5-二甲基苯氧基)丙腈 is 3649-02-3.
What is the molecular formula of 3-(3,5-二甲基苯氧基)丙腈?
The molecular formula of 3-(3,5-二甲基苯氧基)丙腈 is C11H13NO.
What is the molecular weight of 3-(3,5-二甲基苯氧基)丙腈?
The molecular weight of 3-(3,5-二甲基苯氧基)丙腈 is 175.10 g/mol.
Where can I buy 3-(3,5-二甲基苯氧基)丙腈?
You can request a quote for 3-(3,5-二甲基苯氧基)丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,5-二甲基苯氧基)丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,5-二甲基苯氧基)丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.