F1787-0251
TL;DR: F1787-0251 (CAS 853890-36-5) is a chemical compound with molecular formula C15H15N3O3S2 and molecular weight 349.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
Also Known As: F1787-0251, N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-7-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide, N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-7-methyl-1-oxoisochroman-3-carboxamide, N-(5-ethylthio(1,3,4-thiadiazol-2-yl))(7-methyl-1-oxoisochroman-3-yl)carboxami de, N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
| Molecular Formula | C15H15N3O3S2 |
|---|---|
| Molecular Weight | 349.06 g/mol |
| LogP | 2.67872 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.05548 |
| Heavy Atoms | 23 |
| Complexity | 760.1754 |
Chemical Identifiers
| CAS Number | 853890-36-5 |
|---|---|
| SMILES | CCSC1=NN=C(S1)NC(=O)C2CC3=C(C=C(C=C3)C)C(=O)O2 |
Product Overview
F1787-0251 (CAS 853890-36-5), with molecular formula C15H15N3O3S2 and molecular weight 349.06 g/mol. IUPAC: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide.
Chemical Property Profile of F1787-0251
Property Insights of F1787-0251
The XLogP value of 2.67872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1787-0251. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for F1787-0251. Following Lipinski's Rule of Five, F1787-0251 has 1 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 F1787-0251?
The CAS number of F1787-0251 is 853890-36-5.
What is the molecular formula of F1787-0251?
The molecular formula of F1787-0251 is C15H15N3O3S2.
What is the molecular weight of F1787-0251?
The molecular weight of F1787-0251 is 349.06 g/mol.
Where can I buy F1787-0251?
You can request a quote for F1787-0251 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1787-0251?
Yes, KEHONG BIO provides custom synthesis services for F1787-0251 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.