![3-(2-((2-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-4-yl)thio)acetamido)benzoic acid structure](/static/products/866/866873-16-7.png)
3-(2-((2-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-4-yl)thio)acetamido)benzoic acid
TL;DR: 3-(2-((2-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-4-yl)thio)acetamido)benzoic acid (CAS 866873-16-7) is a chemical compound with molecular formula C27H21N3O4S and molecular weight 483.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-[[2-(4-methylphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetyl]amino]benzoic acid
Also Known As: F1607-0401, 3-(2-{[2-(4-METHYLPHENYL)-5H-CHROMENO[2,3-D]PYRIMIDIN-4-YL]SULFANYL}ACETAMIDO)BENZOIC ACID, 3-(2-((2-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-4-yl)thio)acetamido)benzoic acid, 3-[[2-[[2-(4-methylphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetyl]amino]benzoic acid, m-({[2-(p-tolyl)-9-oxa-1,3-diaza-10H-anthr-4-ylthio]methyl}carbonylamino)benzoic acid
| Molecular Formula | C27H21N3O4S |
|---|---|
| Molecular Weight | 483.13 g/mol |
| LogP | 5.57752 |
| Topological Polar Surface Area | 101.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.12527 |
| Heavy Atoms | 35 |
| Complexity | 1437.0477 |
Chemical Identifiers
| CAS Number | 866873-16-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=C(CC4=CC=CC=C4O3)C(=N2)SCC(=O)NC5=CC=CC(=C5)C(=O)O |
Product Overview
3-(2-((2-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-4-yl)thio)acetamido)benzoic acid (CAS 866873-16-7), with molecular formula C27H21N3O4S and molecular weight 483.13 g/mol. IUPAC: 3-[[2-[[2-(4-methylphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of 3-(2-((2-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-4-yl)thio)acetamido)benzoic acid
Property Insights of 3-(2-((2-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-4-yl)thio)acetamido)benzoic acid
The XLogP value of 5.57752 indicates that 3-(2-((2-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-4-yl)thio)acetamido)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-((2-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-4-yl)thio)acetamido)benzoic acid. Following Lipinski's Rule of Five, 3-(2-((2-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-4-yl)thio)acetamido)benzoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-((2-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-4-yl)thio)acetamido)benzoic acid?
The CAS number of 3-(2-((2-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-4-yl)thio)acetamido)benzoic acid is 866873-16-7.
What is the molecular formula of 3-(2-((2-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-4-yl)thio)acetamido)benzoic acid?
The molecular formula of 3-(2-((2-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-4-yl)thio)acetamido)benzoic acid is C27H21N3O4S.
What is the molecular weight of 3-(2-((2-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-4-yl)thio)acetamido)benzoic acid?
The molecular weight of 3-(2-((2-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-4-yl)thio)acetamido)benzoic acid is 483.13 g/mol.
Where can I buy 3-(2-((2-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-4-yl)thio)acetamido)benzoic acid?
You can request a quote for 3-(2-((2-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-4-yl)thio)acetamido)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-((2-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-4-yl)thio)acetamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-((2-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-4-yl)thio)acetamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.