AB00102447-01
TL;DR: AB00102447-01 (CAS 6089-36-7) is a chemical compound with molecular formula C20H17N3O5S and molecular weight 411.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(Z)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide
Also Known As: AB00102447-01, 2-(4-{(Z)-[1-(4-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetamide, 2-[4-[(Z)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide, (Z)-2-(4-((1-(4-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetamide, 2-(4-{(Z)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}phenoxy)acetamide
| Molecular Formula | C20H17N3O5S |
|---|---|
| Molecular Weight | 411.09 g/mol |
| LogP | 1.3906 |
| Topological Polar Surface Area | 110.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.0889 |
| Heavy Atoms | 29 |
| Complexity | 999.7817 |
Chemical Identifiers
| CAS Number | 6089-36-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)OCC(=O)N)/C(=O)NC2=S |
Product Overview
AB00102447-01 (CAS 6089-36-7), with molecular formula C20H17N3O5S and molecular weight 411.09 g/mol. IUPAC: 2-[4-[(Z)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide.
Chemical Property Profile of AB00102447-01
Property Insights of AB00102447-01
The XLogP value of 1.3906 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00102447-01. The TPSA of 110.96 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00102447-01. Following Lipinski's Rule of Five, AB00102447-01 has 2 hydrogen bond donor(s) and 6 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 AB00102447-01?
The CAS number of AB00102447-01 is 6089-36-7.
What is the molecular formula of AB00102447-01?
The molecular formula of AB00102447-01 is C20H17N3O5S.
What is the molecular weight of AB00102447-01?
The molecular weight of AB00102447-01 is 411.09 g/mol.
Where can I buy AB00102447-01?
You can request a quote for AB00102447-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00102447-01?
Yes, KEHONG BIO provides custom synthesis services for AB00102447-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.