F2649-0291
TL;DR: F2649-0291 (CAS 898447-17-1) is a chemical compound with molecular formula C16H15N5O3S2 and molecular weight 389.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: F2649-0291, methyl 4-(2-{[4-amino-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate, methyl 4-[[2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate, methyl 4-[({[4-amino-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, methyl 4-(2-((4-amino-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate
| Molecular Formula | C16H15N5O3S2 |
|---|---|
| Molecular Weight | 389.06 g/mol |
| LogP | 2.2378 |
| Topological Polar Surface Area | 112.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.06165 |
| Heavy Atoms | 26 |
| Complexity | 906.6255 |
Chemical Identifiers
| CAS Number | 898447-17-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=CS3 |
Product Overview
F2649-0291 (CAS 898447-17-1), with molecular formula C16H15N5O3S2 and molecular weight 389.06 g/mol. IUPAC: methyl 4-[[2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of F2649-0291
Property Insights of F2649-0291
The XLogP value of 2.2378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2649-0291. The TPSA of 112.13 Ų falls within the moderate polarity range, balancing permeability and solubility for F2649-0291. Following Lipinski's Rule of Five, F2649-0291 has 2 hydrogen bond donor(s) and 8 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 F2649-0291?
The CAS number of F2649-0291 is 898447-17-1.
What is the molecular formula of F2649-0291?
The molecular formula of F2649-0291 is C16H15N5O3S2.
What is the molecular weight of F2649-0291?
The molecular weight of F2649-0291 is 389.06 g/mol.
Where can I buy F2649-0291?
You can request a quote for F2649-0291 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2649-0291?
Yes, KEHONG BIO provides custom synthesis services for F2649-0291 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.