AB00720866-01
TL;DR: AB00720866-01 (CAS 501348-90-9) is a chemical compound with molecular formula C18H16ClN3OS2 and molecular weight 389.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-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: AB00720866-01, N-(4-chlorophenyl)-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-(4-chlorophenyl)-2-(2-methyl(5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4,5-b ]thiophen-4-ylthio))acetamide
| Molecular Formula | C18H16ClN3OS2 |
|---|---|
| Molecular Weight | 389.04 g/mol |
| LogP | 4.87262 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.04233 |
| Heavy Atoms | 25 |
| Complexity | 953.10474 |
Chemical Identifiers
| CAS Number | 501348-90-9 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)NC4=CC=C(C=C4)Cl |
Product Overview
AB00720866-01 (CAS 501348-90-9), with molecular formula C18H16ClN3OS2 and molecular weight 389.04 g/mol. IUPAC: N-(4-chlorophenyl)-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 AB00720866-01
Property Insights of AB00720866-01
The XLogP value of 4.87262 indicates that AB00720866-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, AB00720866-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00720866-01 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 AB00720866-01?
The CAS number of AB00720866-01 is 501348-90-9.
What is the molecular formula of AB00720866-01?
The molecular formula of AB00720866-01 is C18H16ClN3OS2.
What is the molecular weight of AB00720866-01?
The molecular weight of AB00720866-01 is 389.04 g/mol.
Where can I buy AB00720866-01?
You can request a quote for AB00720866-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00720866-01?
Yes, KEHONG BIO provides custom synthesis services for AB00720866-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.