AB01301981-01
TL;DR: AB01301981-01 (CAS 903853-47-4) is a chemical compound with molecular formula C20H26N4O2S and molecular weight 386.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-morpholin-4-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: AB01301981-01, 1-(morpholin-4-yl)-3-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-morpholin-4-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-morpholino-3-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C20H26N4O2S |
|---|---|
| Molecular Weight | 386.18 g/mol |
| LogP | 2.38318 |
| Topological Polar Surface Area | 69.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.17764 |
| Heavy Atoms | 27 |
| Complexity | 749.3291 |
Chemical Identifiers
| CAS Number | 903853-47-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(N=C2N3CCOCC3)SCC(=O)N4CCCC4)C#N |
Product Overview
AB01301981-01 (CAS 903853-47-4), with molecular formula C20H26N4O2S and molecular weight 386.18 g/mol. IUPAC: 1-morpholin-4-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of AB01301981-01
Property Insights of AB01301981-01
The XLogP value of 2.38318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01301981-01. The TPSA of 69.46 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01301981-01. Following Lipinski's Rule of Five, AB01301981-01 has 0 hydrogen bond donor(s) and 6 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 AB01301981-01?
The CAS number of AB01301981-01 is 903853-47-4.
What is the molecular formula of AB01301981-01?
The molecular formula of AB01301981-01 is C20H26N4O2S.
What is the molecular weight of AB01301981-01?
The molecular weight of AB01301981-01 is 386.18 g/mol.
Where can I buy AB01301981-01?
You can request a quote for AB01301981-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01301981-01?
Yes, KEHONG BIO provides custom synthesis services for AB01301981-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.