F1171-0144
TL;DR: F1171-0144 (CAS 536720-51-1) is a chemical compound with molecular formula C20H17N3O4S2 and molecular weight 427.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[4-oxo-3-[3-oxo-3-(pyridin-3-ylamino)propyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate
Also Known As: F1171-0144, (Z)-methyl 4-((4-oxo-3-(3-oxo-3-(pyridin-3-ylamino)propyl)-2-thioxothiazolidin-5-ylidene)methyl)benzoate, METHYL 4-{[(5Z)-4-OXO-3-{2-[(PYRIDIN-3-YL)CARBAMOYL]ETHYL}-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}BENZOATE, methyl 4-[(Z)-[4-oxo-3-[3-oxo-3-(pyridin-3-ylamino)propyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate, methyl 4-({4-oxo-3-[2-(N-(3-pyridyl)carbamoyl)ethyl]-2-thioxo-1,3-thiazolidin- 5-ylidene}methyl)benzoate
| Molecular Formula | C20H17N3O4S2 |
|---|---|
| Molecular Weight | 427.07 g/mol |
| LogP | 3.0982 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.06604 |
| Heavy Atoms | 29 |
| Complexity | 974.98065 |
Chemical Identifiers
| CAS Number | 536720-51-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CN=CC=C3 |
Product Overview
F1171-0144 (CAS 536720-51-1), with molecular formula C20H17N3O4S2 and molecular weight 427.07 g/mol. IUPAC: methyl 4-[(Z)-[4-oxo-3-[3-oxo-3-(pyridin-3-ylamino)propyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate.
Chemical Property Profile of F1171-0144
Property Insights of F1171-0144
The XLogP value of 3.0982 indicates that F1171-0144 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for F1171-0144. Following Lipinski's Rule of Five, F1171-0144 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 F1171-0144?
The CAS number of F1171-0144 is 536720-51-1.
What is the molecular formula of F1171-0144?
The molecular formula of F1171-0144 is C20H17N3O4S2.
What is the molecular weight of F1171-0144?
The molecular weight of F1171-0144 is 427.07 g/mol.
Where can I buy F1171-0144?
You can request a quote for F1171-0144 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1171-0144?
Yes, KEHONG BIO provides custom synthesis services for F1171-0144 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.