4-烯丙氧基-3,5-二甲基苯甲腈
TL;DR: 4-烯丙氧基-3,5-二甲基苯甲腈 (CAS 100191-87-5) is a chemical compound with molecular formula C12H13NO and molecular weight 187.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-烯丙氧基-3,5-二甲基苯甲腈
3,5-dimethyl-4-prop-2-enoxybenzonitrile
Also Known As: 4-(allyloxy)-3, 4-(Allyloxy)-3,5-dimethylbenzonitrile, 4-Allyloxy-3,5-dimethylbenzonitrile, 3,5-dimethyl-4-prop-2-enoxybenzonitrile, 4-allyloxy-3,5-dimethyl-benzonitrile
| Molecular Formula | C12H13NO |
|---|---|
| Molecular Weight | 187.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.09972 |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 100191-87-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OCC=C)C)C#N |
| InChIKey | YBVGKMVTIIYKTM-UHFFFAOYSA-N |
Product Overview
4-烯丙氧基-3,5-二甲基苯甲腈 (CAS 100191-87-5), with molecular formula C12H13NO and molecular weight 187.10 g/mol. IUPAC: 3,5-dimethyl-4-prop-2-enoxybenzonitrile.
Chemical Property Profile of 4-烯丙氧基-3,5-二甲基苯甲腈
Property Insights of 4-烯丙氧基-3,5-二甲基苯甲腈
The XLogP value of 3.0 indicates that 4-烯丙氧基-3,5-二甲基苯甲腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, 4-烯丙氧基-3,5-二甲基苯甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-烯丙氧基-3,5-二甲基苯甲腈 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 4-烯丙氧基-3,5-二甲基苯甲腈?
The CAS number of 4-烯丙氧基-3,5-二甲基苯甲腈 is 100191-87-5.
What is the molecular formula of 4-烯丙氧基-3,5-二甲基苯甲腈?
The molecular formula of 4-烯丙氧基-3,5-二甲基苯甲腈 is C12H13NO.
What is the molecular weight of 4-烯丙氧基-3,5-二甲基苯甲腈?
The molecular weight of 4-烯丙氧基-3,5-二甲基苯甲腈 is 187.10 g/mol.
Where can I buy 4-烯丙氧基-3,5-二甲基苯甲腈?
You can request a quote for 4-烯丙氧基-3,5-二甲基苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-烯丙氧基-3,5-二甲基苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 4-烯丙氧基-3,5-二甲基苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.