AB00718460-01
TL;DR: AB00718460-01 (CAS 726147-57-5) is a chemical compound with molecular formula C18H16BrN3OS2 and molecular weight 432.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-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: AB00718460-01, N-(4-bromophenyl)-2-(2-methyl(5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4,5-b] thiophen-4-ylthio))acetamide
| Molecular Formula | C18H16BrN3OS2 |
|---|---|
| Molecular Weight | 432.99 g/mol |
| LogP | 4.98172 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.99182 |
| Heavy Atoms | 25 |
| Complexity | 953.10474 |
Chemical Identifiers
| CAS Number | 726147-57-5 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)NC4=CC=C(C=C4)Br |
Product Overview
AB00718460-01 (CAS 726147-57-5), with molecular formula C18H16BrN3OS2 and molecular weight 432.99 g/mol. IUPAC: N-(4-bromophenyl)-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 AB00718460-01
Property Insights of AB00718460-01
The XLogP value of 4.98172 indicates that AB00718460-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, AB00718460-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00718460-01 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 AB00718460-01?
The CAS number of AB00718460-01 is 726147-57-5.
What is the molecular formula of AB00718460-01?
The molecular formula of AB00718460-01 is C18H16BrN3OS2.
What is the molecular weight of AB00718460-01?
The molecular weight of AB00718460-01 is 432.99 g/mol.
Where can I buy AB00718460-01?
You can request a quote for AB00718460-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00718460-01?
Yes, KEHONG BIO provides custom synthesis services for AB00718460-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.