AB00112002-01
TL;DR: AB00112002-01 (CAS 429652-67-5) is a chemical compound with molecular formula C18H15FN2O5S and molecular weight 390.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(2-fluorobenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate
Also Known As: AB00112002-01, dimethyl 5-(3-(2-fluorobenzoyl)thioureido)isophthalate, dimethyl 5-({[(2-fluorophenyl)carbonyl]carbamothioyl}amino)benzene-1,3-dicarboxylate, dimethyl 5-[(2-fluorobenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate, 1,3-DIMETHYL 5-({[(2-FLUOROPHENYL)FORMAMIDO]METHANETHIOYL}AMINO)BENZENE-1,3-DICARBOXYLATE
| Molecular Formula | C18H15FN2O5S |
|---|---|
| Molecular Weight | 390.07 g/mol |
| LogP | 2.5257 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.06857 |
| Heavy Atoms | 27 |
| Complexity | 882.12506 |
Chemical Identifiers
| CAS Number | 429652-67-5 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2F)C(=O)OC |
Product Overview
AB00112002-01 (CAS 429652-67-5), with molecular formula C18H15FN2O5S and molecular weight 390.07 g/mol. IUPAC: dimethyl 5-[(2-fluorobenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate.
Chemical Property Profile of AB00112002-01
Property Insights of AB00112002-01
The XLogP value of 2.5257 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00112002-01. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00112002-01. Following Lipinski's Rule of Five, AB00112002-01 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 AB00112002-01?
The CAS number of AB00112002-01 is 429652-67-5.
What is the molecular formula of AB00112002-01?
The molecular formula of AB00112002-01 is C18H15FN2O5S.
What is the molecular weight of AB00112002-01?
The molecular weight of AB00112002-01 is 390.07 g/mol.
Where can I buy AB00112002-01?
You can request a quote for AB00112002-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00112002-01?
Yes, KEHONG BIO provides custom synthesis services for AB00112002-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.