![[(2-Methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetic acid structure](/static/products/313/313400-59-8.png)
[(2-Methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetic acid
TL;DR: [(2-Methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetic acid (CAS 313400-59-8) is a chemical compound with molecular formula C13H10N2O3S and molecular weight 274.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetic acid
Also Known As: ChemDiv3_002842, BAS 01508435, BRD-K30883861-001-01-4, (2-Methyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylsulfanyl)-acetic acid, 2-((2-methylbenzofuro[3,2-d]pyrimidin-4-yl)thio)acetic acid
| Molecular Formula | C13H10N2O3S |
|---|---|
| Molecular Weight | 274.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.0412 |
| Heavy Atoms | 19 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 313400-59-8 |
|---|---|
| SMILES | CC1=NC2=C(C(=N1)SCC(=O)O)OC3=CC=CC=C32 |
| InChIKey | JHLCUCIMYQTBFY-UHFFFAOYSA-N |
Product Overview
[(2-Methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetic acid (CAS 313400-59-8), with molecular formula C13H10N2O3S and molecular weight 274.04 g/mol. IUPAC: 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetic acid.
Chemical Property Profile of [(2-Methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetic acid
Property Insights of [(2-Methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2-Methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetic acid. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2-Methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetic acid. Following Lipinski's Rule of Five, [(2-Methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetic acid 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 [(2-Methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetic acid?
The CAS number of [(2-Methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetic acid is 313400-59-8.
What is the molecular formula of [(2-Methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetic acid?
The molecular formula of [(2-Methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetic acid is C13H10N2O3S.
What is the molecular weight of [(2-Methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetic acid?
The molecular weight of [(2-Methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetic acid is 274.04 g/mol.
Where can I buy [(2-Methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetic acid?
You can request a quote for [(2-Methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2-Methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(2-Methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.