5-氨基-2-(辛氧基)苯甲腈
TL;DR: 5-氨基-2-(辛氧基)苯甲腈 (CAS 13724-18-0) is a chemical compound with molecular formula C15H22N2O and molecular weight 246.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氨基-2-(辛氧基)苯甲腈
5-amino-2-octoxybenzonitrile
Also Known As: 5-amino-2-octoxybenzonitrile, 5-Amino-2-(octyloxy)benzonitrile, starbld0010003, BENZONITRILE, 5-AMINO-2-(OCTYLOXY)-, BRN 2978334
| Molecular Formula | C15H22N2O |
|---|---|
| Molecular Weight | 246.17 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 246.17322 |
| Heavy Atoms | 18 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 13724-18-0 |
|---|---|
| SMILES | CCCCCCCCOC1=C(C=C(C=C1)N)C#N |
| InChIKey | ICDHMUOKNPVOIS-UHFFFAOYSA-N |
Product Overview
5-氨基-2-(辛氧基)苯甲腈 (CAS 13724-18-0), with molecular formula C15H22N2O and molecular weight 246.17 g/mol. IUPAC: 5-amino-2-octoxybenzonitrile.
Chemical Property Profile of 5-氨基-2-(辛氧基)苯甲腈
Property Insights of 5-氨基-2-(辛氧基)苯甲腈
The XLogP value of 4.3 indicates that 5-氨基-2-(辛氧基)苯甲腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, 5-氨基-2-(辛氧基)苯甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-氨基-2-(辛氧基)苯甲腈 has 1 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 5-氨基-2-(辛氧基)苯甲腈?
The CAS number of 5-氨基-2-(辛氧基)苯甲腈 is 13724-18-0.
What is the molecular formula of 5-氨基-2-(辛氧基)苯甲腈?
The molecular formula of 5-氨基-2-(辛氧基)苯甲腈 is C15H22N2O.
What is the molecular weight of 5-氨基-2-(辛氧基)苯甲腈?
The molecular weight of 5-氨基-2-(辛氧基)苯甲腈 is 246.17 g/mol.
Where can I buy 5-氨基-2-(辛氧基)苯甲腈?
You can request a quote for 5-氨基-2-(辛氧基)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 5-氨基-2-(辛氧基)苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 5-氨基-2-(辛氧基)苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.