AB00120883-01
TL;DR: AB00120883-01 (CAS 444098-33-3) is a chemical compound with molecular formula C22H18ClFN2O6S and molecular weight 492.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-chloro-4-[(Z)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-6-methoxyphenoxy]acetate
Also Known As: AB00120883-01, AH-487/40935452, ethyl (2-chloro-4-{(Z)-[1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-methoxyphenoxy)acetate, ethyl 2-[2-chloro-4-[(Z)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-6-methoxyphenoxy]acetate, (Z)-ethyl 2-(2-chloro-4-((1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-6-methoxyphenoxy)acetate
| Molecular Formula | C22H18ClFN2O6S |
|---|---|
| Molecular Weight | 492.06 g/mol |
| LogP | 3.2609 |
| Topological Polar Surface Area | 94.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.05582 |
| Heavy Atoms | 33 |
| Complexity | 1152.3202 |
Chemical Identifiers
| CAS Number | 444098-33-3 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C=C(C=C1Cl)/C=C\2/C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F)OC |
Product Overview
AB00120883-01 (CAS 444098-33-3), with molecular formula C22H18ClFN2O6S and molecular weight 492.06 g/mol. IUPAC: ethyl 2-[2-chloro-4-[(Z)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-6-methoxyphenoxy]acetate.
Chemical Property Profile of AB00120883-01
Property Insights of AB00120883-01
The XLogP value of 3.2609 indicates that AB00120883-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.17 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00120883-01. Following Lipinski's Rule of Five, AB00120883-01 has 1 hydrogen bond donor(s) and 7 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 AB00120883-01?
The CAS number of AB00120883-01 is 444098-33-3.
What is the molecular formula of AB00120883-01?
The molecular formula of AB00120883-01 is C22H18ClFN2O6S.
What is the molecular weight of AB00120883-01?
The molecular weight of AB00120883-01 is 492.06 g/mol.
Where can I buy AB00120883-01?
You can request a quote for AB00120883-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00120883-01?
Yes, KEHONG BIO provides custom synthesis services for AB00120883-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.