AB00074123-01
TL;DR: AB00074123-01 (CAS 5118-77-4) is a chemical compound with molecular formula C22H21N3O4S and molecular weight 423.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(4-hydroxy-3,5-dimethoxyphenyl)-13-methyl-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: AB00074123-01, 10-(4-Hydroxy-3,5-dimethoxyphenyl)-13-methyl-12-sulfanylidene-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-14-one, 5-(4-hydroxy-3,5-dimethoxyphenyl)-2-methyl-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one, 5-(4-Hydroxy-3,5-dimethoxyphenyl)-2-methyl-3-sulfanylidene-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one
| Molecular Formula | C22H21N3O4S |
|---|---|
| Molecular Weight | 423.13 g/mol |
| LogP | 2.9637 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.12527 |
| Heavy Atoms | 30 |
| Complexity | 1179.3059 |
Chemical Identifiers
| CAS Number | 5118-77-4 |
|---|---|
| SMILES | CN1C(=O)C2CC3=C(C(N2C1=S)C4=CC(=C(C(=C4)OC)O)OC)NC5=CC=CC=C35 |
Product Overview
AB00074123-01 (CAS 5118-77-4), with molecular formula C22H21N3O4S and molecular weight 423.13 g/mol. IUPAC: 10-(4-hydroxy-3,5-dimethoxyphenyl)-13-methyl-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 AB00074123-01
Property Insights of AB00074123-01
The XLogP value of 2.9637 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00074123-01. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00074123-01. Following Lipinski's Rule of Five, AB00074123-01 has 2 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 AB00074123-01?
The CAS number of AB00074123-01 is 5118-77-4.
What is the molecular formula of AB00074123-01?
The molecular formula of AB00074123-01 is C22H21N3O4S.
What is the molecular weight of AB00074123-01?
The molecular weight of AB00074123-01 is 423.13 g/mol.
Where can I buy AB00074123-01?
You can request a quote for AB00074123-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00074123-01?
Yes, KEHONG BIO provides custom synthesis services for AB00074123-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.