![Methyl 2-[(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]benzenecarboxylate structure](/static/products/6729/672925-11-0.webp)
Methyl 2-[(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]benzenecarboxylate
TL;DR: Methyl 2-[(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]benzenecarboxylate (CAS 672925-11-0) is a chemical compound with molecular formula C14H11N3O3S and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]benzoate
Also Known As: methyl 2-[(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]benzenecarboxylate, methyl 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]benzoate, methyl 2-({3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}sulfanyl)benzoate, methyl2-({3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}sulfanyl)benzoate, Methyl 2-[(9-methyl-7-oxa-3,5,8-triazabicyclo[4.3.0]nona-2,4,8,10-tetraen-2-yl)sulfanyl]benzoate
| Molecular Formula | C14H11N3O3S |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 2.86402 |
| Topological Polar Surface Area | 78.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.05212 |
| Heavy Atoms | 21 |
| Complexity | 816.08435 |
Chemical Identifiers
| CAS Number | 672925-11-0 |
|---|---|
| SMILES | CC1=NOC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)OC |
Product Overview
Methyl 2-[(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]benzenecarboxylate (CAS 672925-11-0), with molecular formula C14H11N3O3S and molecular weight 301.05 g/mol. IUPAC: methyl 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]benzoate.
Chemical Property Profile of Methyl 2-[(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]benzenecarboxylate
Property Insights of Methyl 2-[(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]benzenecarboxylate
The XLogP value of 2.86402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]benzenecarboxylate. The TPSA of 78.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]benzenecarboxylate. Following Lipinski's Rule of Five, Methyl 2-[(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]benzenecarboxylate has 0 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 Methyl 2-[(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]benzenecarboxylate?
The CAS number of Methyl 2-[(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]benzenecarboxylate is 672925-11-0.
What is the molecular formula of Methyl 2-[(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]benzenecarboxylate?
The molecular formula of Methyl 2-[(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]benzenecarboxylate is C14H11N3O3S.
What is the molecular weight of Methyl 2-[(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]benzenecarboxylate?
The molecular weight of Methyl 2-[(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]benzenecarboxylate is 301.05 g/mol.
Where can I buy Methyl 2-[(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]benzenecarboxylate?
You can request a quote for Methyl 2-[(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.