AB00718116-01
TL;DR: AB00718116-01 (CAS 499232-20-1) is a chemical compound with molecular formula C19H19N3OS2 and molecular weight 369.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-dimethylphenyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide
Also Known As: AB00718116-01, N-(2,6-dimethylphenyl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamide, N-(2,6-dimethylphenyl)-2-(5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]thio phen-4-ylthio)acetamide, N-(2,6-dimethylphenyl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl}acetamide
| Molecular Formula | C19H19N3OS2 |
|---|---|
| Molecular Weight | 369.10 g/mol |
| LogP | 4.52764 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.09695 |
| Heavy Atoms | 25 |
| Complexity | 944.45276 |
Chemical Identifiers
| CAS Number | 499232-20-1 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC=NC3=C2C4=C(S3)CCC4 |
Product Overview
AB00718116-01 (CAS 499232-20-1), with molecular formula C19H19N3OS2 and molecular weight 369.10 g/mol. IUPAC: N-(2,6-dimethylphenyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide.
Chemical Property Profile of AB00718116-01
Property Insights of AB00718116-01
The XLogP value of 4.52764 indicates that AB00718116-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, AB00718116-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00718116-01 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 AB00718116-01?
The CAS number of AB00718116-01 is 499232-20-1.
What is the molecular formula of AB00718116-01?
The molecular formula of AB00718116-01 is C19H19N3OS2.
What is the molecular weight of AB00718116-01?
The molecular weight of AB00718116-01 is 369.10 g/mol.
Where can I buy AB00718116-01?
You can request a quote for AB00718116-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00718116-01?
Yes, KEHONG BIO provides custom synthesis services for AB00718116-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.