AB01301606-01
TL;DR: AB01301606-01 (CAS 903199-48-4) is a chemical compound with molecular formula C19H26N4O and molecular weight 326.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-butanoylpiperazin-1-yl)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: AB01301606-01, 3-(4-butanoylpiperazin-1-yl)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-(4-butyrylpiperazin-1-yl)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C19H26N4O |
|---|---|
| Molecular Weight | 326.21 g/mol |
| LogP | 2.5892 |
| Topological Polar Surface Area | 60.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.21066 |
| Heavy Atoms | 24 |
| Complexity | 668.92487 |
Chemical Identifiers
| CAS Number | 903199-48-4 |
|---|---|
| SMILES | CCCC(=O)N1CCN(CC1)C2=NC(=C3CCCCC3=C2C#N)C |
Product Overview
AB01301606-01 (CAS 903199-48-4), with molecular formula C19H26N4O and molecular weight 326.21 g/mol. IUPAC: 3-(4-butanoylpiperazin-1-yl)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of AB01301606-01
Property Insights of AB01301606-01
The XLogP value of 2.5892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01301606-01. The TPSA of 60.23 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01301606-01. Following Lipinski's Rule of Five, AB01301606-01 has 0 hydrogen bond donor(s) and 4 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 AB01301606-01?
The CAS number of AB01301606-01 is 903199-48-4.
What is the molecular formula of AB01301606-01?
The molecular formula of AB01301606-01 is C19H26N4O.
What is the molecular weight of AB01301606-01?
The molecular weight of AB01301606-01 is 326.21 g/mol.
Where can I buy AB01301606-01?
You can request a quote for AB01301606-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01301606-01?
Yes, KEHONG BIO provides custom synthesis services for AB01301606-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.