AB01302694-01
TL;DR: AB01302694-01 (CAS 903195-91-5) is a chemical compound with molecular formula C22H26N4O2 and molecular weight 378.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-butanoylpiperazin-1-yl)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: AB01302694-01, 3-(4-butanoylpiperazin-1-yl)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-(4-butanoylpiperazin-1-yl)-1-(2-furyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-(4-butyrylpiperazin-1-yl)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C22H26N4O2 |
|---|---|
| Molecular Weight | 378.21 g/mol |
| LogP | 3.54078 |
| Topological Polar Surface Area | 73.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.20557 |
| Heavy Atoms | 28 |
| Complexity | 890.246 |
Chemical Identifiers
| CAS Number | 903195-91-5 |
|---|---|
| SMILES | CCCC(=O)N1CCN(CC1)C2=C(C3=C(CCCC3)C(=N2)C4=CC=CO4)C#N |
Product Overview
AB01302694-01 (CAS 903195-91-5), with molecular formula C22H26N4O2 and molecular weight 378.21 g/mol. IUPAC: 3-(4-butanoylpiperazin-1-yl)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of AB01302694-01
Property Insights of AB01302694-01
The XLogP value of 3.54078 indicates that AB01302694-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.37 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01302694-01. Following Lipinski's Rule of Five, AB01302694-01 has 0 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 AB01302694-01?
The CAS number of AB01302694-01 is 903195-91-5.
What is the molecular formula of AB01302694-01?
The molecular formula of AB01302694-01 is C22H26N4O2.
What is the molecular weight of AB01302694-01?
The molecular weight of AB01302694-01 is 378.21 g/mol.
Where can I buy AB01302694-01?
You can request a quote for AB01302694-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01302694-01?
Yes, KEHONG BIO provides custom synthesis services for AB01302694-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.