4-氯异喹啉-1-甲腈
TL;DR: 4-氯异喹啉-1-甲腈 (CAS 35803-42-0) is a chemical compound with molecular formula C10H5ClN2 and molecular weight 188.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯异喹啉-1-甲腈
4-chloroisoquinoline-1-carbonitrile
Also Known As: 4-chloroisoquinoline-1-carbonitrile, URIDINE-2-13C, 4-Chloro-1-isoquinolinecarbonitrile, 1-Isoquinolinecarbonitrile, 4-chloro-
| Molecular Formula | C10H5ClN2 |
|---|---|
| Molecular Weight | 188.01 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.01413 |
| Heavy Atoms | 13 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 35803-42-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN=C2C#N)Cl |
| InChIKey | SAKHFRXAQUXSGH-UHFFFAOYSA-N |
Product Overview
4-氯异喹啉-1-甲腈 (CAS 35803-42-0), with molecular formula C10H5ClN2 and molecular weight 188.01 g/mol. IUPAC: 4-chloroisoquinoline-1-carbonitrile.
Chemical Property Profile of 4-氯异喹啉-1-甲腈
Property Insights of 4-氯异喹啉-1-甲腈
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯异喹啉-1-甲腈. With a topological polar surface area (TPSA) of 36.7 Ų, 4-氯异喹啉-1-甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯异喹啉-1-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-氯异喹啉-1-甲腈?
The CAS number of 4-氯异喹啉-1-甲腈 is 35803-42-0.
What is the molecular formula of 4-氯异喹啉-1-甲腈?
The molecular formula of 4-氯异喹啉-1-甲腈 is C10H5ClN2.
What is the molecular weight of 4-氯异喹啉-1-甲腈?
The molecular weight of 4-氯异喹啉-1-甲腈 is 188.01 g/mol.
Where can I buy 4-氯异喹啉-1-甲腈?
You can request a quote for 4-氯异喹啉-1-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-氯异喹啉-1-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 4-氯异喹啉-1-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.