AB01301627-01
TL;DR: AB01301627-01 (CAS 903589-56-0) is a chemical compound with molecular formula C20H30N4O and molecular weight 342.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: AB01301627-01, 1-butyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-butyl-3-(4-(2-hydroxyethyl)piperazin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C20H30N4O |
|---|---|
| Molecular Weight | 342.24 g/mol |
| LogP | 2.28898 |
| Topological Polar Surface Area | 63.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.24197 |
| Heavy Atoms | 25 |
| Complexity | 629.56384 |
Chemical Identifiers
| CAS Number | 903589-56-0 |
|---|---|
| SMILES | CCCCC1=NC(=C(C2=C1CCCC2)C#N)N3CCN(CC3)CCO |
Product Overview
AB01301627-01 (CAS 903589-56-0), with molecular formula C20H30N4O and molecular weight 342.24 g/mol. IUPAC: 1-butyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of AB01301627-01
Property Insights of AB01301627-01
The XLogP value of 2.28898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01301627-01. The TPSA of 63.39 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01301627-01. Following Lipinski's Rule of Five, AB01301627-01 has 1 hydrogen bond donor(s) and 5 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 AB01301627-01?
The CAS number of AB01301627-01 is 903589-56-0.
What is the molecular formula of AB01301627-01?
The molecular formula of AB01301627-01 is C20H30N4O.
What is the molecular weight of AB01301627-01?
The molecular weight of AB01301627-01 is 342.24 g/mol.
Where can I buy AB01301627-01?
You can request a quote for AB01301627-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01301627-01?
Yes, KEHONG BIO provides custom synthesis services for AB01301627-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.