![Benzoic acid, 4-[2-(phthalazin-1-ylsulfanyl)acetylamino]-, methyl ester structure](/static/products/6743/674364-15-9.webp)
Benzoic acid, 4-[2-(phthalazin-1-ylsulfanyl)acetylamino]-, methyl ester
TL;DR: Benzoic acid, 4-[2-(phthalazin-1-ylsulfanyl)acetylamino]-, methyl ester (CAS 674364-15-9) is a chemical compound with molecular formula C18H15N3O3S and molecular weight 353.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2-phthalazin-1-ylsulfanylacetyl)amino]benzoate
Also Known As: CBKinase1_006449, CBKinase1_018849, BAS 07779022, methyl 4-(2-(phthalazin-1-ylthio)acetamido)benzoate, AB00351224-03
| Molecular Formula | C18H15N3O3S |
|---|---|
| Molecular Weight | 353.08 g/mol |
| LogP | 3.1472 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.0834 |
| Heavy Atoms | 25 |
| Complexity | 907.5932 |
Chemical Identifiers
| CAS Number | 674364-15-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=CC3=CC=CC=C32 |
Product Overview
Benzoic acid, 4-[2-(phthalazin-1-ylsulfanyl)acetylamino]-, methyl ester (CAS 674364-15-9), with molecular formula C18H15N3O3S and molecular weight 353.08 g/mol. IUPAC: methyl 4-[(2-phthalazin-1-ylsulfanylacetyl)amino]benzoate.
Chemical Property Profile of Benzoic acid, 4-[2-(phthalazin-1-ylsulfanyl)acetylamino]-, methyl ester
Property Insights of Benzoic acid, 4-[2-(phthalazin-1-ylsulfanyl)acetylamino]-, methyl ester
The XLogP value of 3.1472 indicates that Benzoic acid, 4-[2-(phthalazin-1-ylsulfanyl)acetylamino]-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-[2-(phthalazin-1-ylsulfanyl)acetylamino]-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-[2-(phthalazin-1-ylsulfanyl)acetylamino]-, methyl ester has 1 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 Benzoic acid, 4-[2-(phthalazin-1-ylsulfanyl)acetylamino]-, methyl ester?
The CAS number of Benzoic acid, 4-[2-(phthalazin-1-ylsulfanyl)acetylamino]-, methyl ester is 674364-15-9.
What is the molecular formula of Benzoic acid, 4-[2-(phthalazin-1-ylsulfanyl)acetylamino]-, methyl ester?
The molecular formula of Benzoic acid, 4-[2-(phthalazin-1-ylsulfanyl)acetylamino]-, methyl ester is C18H15N3O3S.
What is the molecular weight of Benzoic acid, 4-[2-(phthalazin-1-ylsulfanyl)acetylamino]-, methyl ester?
The molecular weight of Benzoic acid, 4-[2-(phthalazin-1-ylsulfanyl)acetylamino]-, methyl ester is 353.08 g/mol.
Where can I buy Benzoic acid, 4-[2-(phthalazin-1-ylsulfanyl)acetylamino]-, methyl ester?
You can request a quote for Benzoic acid, 4-[2-(phthalazin-1-ylsulfanyl)acetylamino]-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-[2-(phthalazin-1-ylsulfanyl)acetylamino]-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[2-(phthalazin-1-ylsulfanyl)acetylamino]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.