对-(3-氮杂环丁基)苯甲腈
TL;DR: 对-(3-氮杂环丁基)苯甲腈 (CAS 7215-03-4) is a chemical compound with molecular formula C10H10N2 and molecular weight 158.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对-(3-氮杂环丁基)苯甲腈
4-(azetidin-3-yl)benzonitrile
Also Known As: 4-(azetidin-3-yl)benzonitrile, p-(3-Azetidinyl)benzonitrile, 4-azetidin-3-yl-benzonitrile, 4-(3-azetidinyl)Benzonitrile, BENZONITRILE, p-(3-AZETIDINYL)-
| Molecular Formula | C10H10N2 |
|---|---|
| Molecular Weight | 158.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.0844 |
| Heavy Atoms | 12 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 7215-03-4 |
|---|---|
| SMILES | C1C(CN1)C2=CC=C(C=C2)C#N |
| InChIKey | HSJBGIMFXZFGQR-UHFFFAOYSA-N |
Product Overview
对-(3-氮杂环丁基)苯甲腈 (CAS 7215-03-4), with molecular formula C10H10N2 and molecular weight 158.08 g/mol. IUPAC: 4-(azetidin-3-yl)benzonitrile.
Chemical Property Profile of 对-(3-氮杂环丁基)苯甲腈
Property Insights of 对-(3-氮杂环丁基)苯甲腈
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对-(3-氮杂环丁基)苯甲腈. With a topological polar surface area (TPSA) of 35.8 Ų, 对-(3-氮杂环丁基)苯甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对-(3-氮杂环丁基)苯甲腈 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 对-(3-氮杂环丁基)苯甲腈?
The CAS number of 对-(3-氮杂环丁基)苯甲腈 is 7215-03-4.
What is the molecular formula of 对-(3-氮杂环丁基)苯甲腈?
The molecular formula of 对-(3-氮杂环丁基)苯甲腈 is C10H10N2.
What is the molecular weight of 对-(3-氮杂环丁基)苯甲腈?
The molecular weight of 对-(3-氮杂环丁基)苯甲腈 is 158.08 g/mol.
Where can I buy 对-(3-氮杂环丁基)苯甲腈?
You can request a quote for 对-(3-氮杂环丁基)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 对-(3-氮杂环丁基)苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 对-(3-氮杂环丁基)苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.