AB01311579-01
TL;DR: AB01311579-01 (CAS 904511-70-2) is a chemical compound with molecular formula C20H26N4OS and molecular weight 370.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: AB01311579-01, 3-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1-(pyrrolidin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-1-(pyrrolidin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C20H26N4OS |
|---|---|
| Molecular Weight | 370.18 g/mol |
| LogP | 3.14678 |
| Topological Polar Surface Area | 60.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.18274 |
| Heavy Atoms | 26 |
| Complexity | 730.30725 |
Chemical Identifiers
| CAS Number | 904511-70-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(N=C2N3CCCC3)SCC(=O)N4CCCC4)C#N |
Product Overview
AB01311579-01 (CAS 904511-70-2), with molecular formula C20H26N4OS and molecular weight 370.18 g/mol. IUPAC: 3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of AB01311579-01
Property Insights of AB01311579-01
The XLogP value of 3.14678 indicates that AB01311579-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.23 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01311579-01. Following Lipinski's Rule of Five, AB01311579-01 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 AB01311579-01?
The CAS number of AB01311579-01 is 904511-70-2.
What is the molecular formula of AB01311579-01?
The molecular formula of AB01311579-01 is C20H26N4OS.
What is the molecular weight of AB01311579-01?
The molecular weight of AB01311579-01 is 370.18 g/mol.
Where can I buy AB01311579-01?
You can request a quote for AB01311579-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01311579-01?
Yes, KEHONG BIO provides custom synthesis services for AB01311579-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.