异喹胍
TL;DR: 异喹胍 (CAS 1131-64-2) is a chemical compound with molecular formula C10H13N3 and molecular weight 175.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异喹胍
3,4-dihydro-1H-isoquinoline-2-carboximidamide
Also Known As: Debrisoquine, Debrisoquin, Debrisochinum, Isocaramidine, Tendor
| Molecular Formula | C10H13N3 |
|---|---|
| Molecular Weight | 175.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.11095 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
| Melting Point | 278-280 °C |
Chemical Identifiers
| CAS Number | 1131-64-2 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=N)N |
| InChIKey | JWPGJSVJDAJRLW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异喹胍 (CAS 1131-64-2), with molecular formula C10H13N3 and molecular weight 175.11 g/mol. IUPAC: 3,4-dihydro-1H-isoquinoline-2-carboximidamide.
Chemical Property Profile of 异喹胍
Property Insights of 异喹胍
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异喹胍. With a topological polar surface area (TPSA) of 53.1 Ų, 异喹胍 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异喹胍 has 2 hydrogen bond donor(s) and 1 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 异喹胍?
The CAS number of 异喹胍 is 1131-64-2.
What is the molecular formula of 异喹胍?
The molecular formula of 异喹胍 is C10H13N3.
What is the molecular weight of 异喹胍?
The molecular weight of 异喹胍 is 175.11 g/mol.
Where can I buy 异喹胍?
You can request a quote for 异喹胍 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异喹胍?
Yes, KEHONG BIO provides custom synthesis services for 异喹胍 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.