AB01301988-01
TL;DR: AB01301988-01 (CAS 903188-98-7) is a chemical compound with molecular formula C18H25N3OS and molecular weight 331.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxyethylsulfanyl)-1-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: AB01301988-01, 3-[(2-hydroxyethyl)sulfanyl]-1-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-((2-hydroxyethyl)thio)-1-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-(2-hydroxyethylsulfanyl)-1-(4-methyl-1-piperidyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-(2-hydroxyethylsulfanyl)-1-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C18H25N3OS |
|---|---|
| Molecular Weight | 331.17 g/mol |
| LogP | 3.15278 |
| Topological Polar Surface Area | 60.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.17184 |
| Heavy Atoms | 23 |
| Complexity | 603.2648 |
Chemical Identifiers
| CAS Number | 903188-98-7 |
|---|---|
| SMILES | CC1CCN(CC1)C2=NC(=C(C3=C2CCCC3)C#N)SCCO |
Product Overview
AB01301988-01 (CAS 903188-98-7), with molecular formula C18H25N3OS and molecular weight 331.17 g/mol. IUPAC: 3-(2-hydroxyethylsulfanyl)-1-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of AB01301988-01
Property Insights of AB01301988-01
The XLogP value of 3.15278 indicates that AB01301988-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.15 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01301988-01. Following Lipinski's Rule of Five, AB01301988-01 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 AB01301988-01?
The CAS number of AB01301988-01 is 903188-98-7.
What is the molecular formula of AB01301988-01?
The molecular formula of AB01301988-01 is C18H25N3OS.
What is the molecular weight of AB01301988-01?
The molecular weight of AB01301988-01 is 331.17 g/mol.
Where can I buy AB01301988-01?
You can request a quote for AB01301988-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01301988-01?
Yes, KEHONG BIO provides custom synthesis services for AB01301988-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.