AB00720856-01
TL;DR: AB00720856-01 (CAS 453584-32-2) is a chemical compound with molecular formula C20H21N3OS2 and molecular weight 383.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethylphenyl)-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetamide
Also Known As: AB00720856-01, N-(3,4-dimethylphenyl)-2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl}sulfanyl)acetamide, N-(3,4-dimethylphenyl)-2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)acetamide, N-(3,4-dimethylphenyl)-2-(2-methyl(5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4 ,5-b]thiophen-4-ylthio))acetamide
| Molecular Formula | C20H21N3OS2 |
|---|---|
| Molecular Weight | 383.11 g/mol |
| LogP | 4.83606 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.1126 |
| Heavy Atoms | 26 |
| Complexity | 1009.9492 |
Chemical Identifiers
| CAS Number | 453584-32-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C4=C(S3)CCC4)C)C |
Product Overview
AB00720856-01 (CAS 453584-32-2), with molecular formula C20H21N3OS2 and molecular weight 383.11 g/mol. IUPAC: N-(3,4-dimethylphenyl)-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00720856-01
Property Insights of AB00720856-01
The XLogP value of 4.83606 indicates that AB00720856-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, AB00720856-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00720856-01 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 AB00720856-01?
The CAS number of AB00720856-01 is 453584-32-2.
What is the molecular formula of AB00720856-01?
The molecular formula of AB00720856-01 is C20H21N3OS2.
What is the molecular weight of AB00720856-01?
The molecular weight of AB00720856-01 is 383.11 g/mol.
Where can I buy AB00720856-01?
You can request a quote for AB00720856-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00720856-01?
Yes, KEHONG BIO provides custom synthesis services for AB00720856-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.