A4013/0171127
TL;DR: A4013/0171127 (CAS 1009698-18-3) is a chemical compound with molecular formula C20H17N3OS and molecular weight 347.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(4-methylphenyl)-12-sulfanylidene-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-14-one
Also Known As: A4013/0171127, 1H-Imidazo[5',1':6,1]pyrido[3,4-b]indol-1-one, 2,3,5,6,11,11a-hexahydro-2-(4-methylphenyl)-3-thioxo-, 2-(4-methylphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one, 2-(4-methylphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1,5-b]beta-carbolin-1-one, 2-(4-methylphenyl)-3-thioxo-4,5,11,11a-tetrahydro-11aH-1,3-diazolidino[1,5-b]b eta-carbolin-1-one
| Molecular Formula | C20H17N3OS |
|---|---|
| Molecular Weight | 347.11 g/mol |
| LogP | 3.53472 |
| Topological Polar Surface Area | 39.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 347.10922 |
| Heavy Atoms | 25 |
| Complexity | 1021.10223 |
Chemical Identifiers
| CAS Number | 1009698-18-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3CC4=C(CN3C2=S)NC5=CC=CC=C45 |
Product Overview
A4013/0171127 (CAS 1009698-18-3), with molecular formula C20H17N3OS and molecular weight 347.11 g/mol. IUPAC: 13-(4-methylphenyl)-12-sulfanylidene-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-14-one.
Chemical Property Profile of A4013/0171127
Property Insights of A4013/0171127
The XLogP value of 3.53472 indicates that A4013/0171127 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.34 Ų, A4013/0171127 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4013/0171127 has 1 hydrogen bond donor(s) and 2 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 A4013/0171127?
The CAS number of A4013/0171127 is 1009698-18-3.
What is the molecular formula of A4013/0171127?
The molecular formula of A4013/0171127 is C20H17N3OS.
What is the molecular weight of A4013/0171127?
The molecular weight of A4013/0171127 is 347.11 g/mol.
Where can I buy A4013/0171127?
You can request a quote for A4013/0171127 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4013/0171127?
Yes, KEHONG BIO provides custom synthesis services for A4013/0171127 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.