F0470-0345
TL;DR: F0470-0345 (CAS 391874-95-6) is a chemical compound with molecular formula C16H18N4O7S2 and molecular weight 442.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate
Also Known As: F0470-0345, ethyl 2-((5-(4,5-dimethoxy-2-nitrobenzamido)-1,3,4-thiadiazol-2-yl)thio)propanoate, ethyl 2-[[5-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate, ethyl 2-{[5-(4,5-dimethoxy-2-nitrobenzamido)-1,3,4-thiadiazol-2-yl]sulfanyl}propanoate, Ethyl 2-[[5-[(4,5-dimethoxy-2-nitro-benzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate
| Molecular Formula | C16H18N4O7S2 |
|---|---|
| Molecular Weight | 442.06 g/mol |
| LogP | 2.7595 |
| Topological Polar Surface Area | 142.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 442.06168 |
| Heavy Atoms | 29 |
| Complexity | 918.6684 |
Chemical Identifiers
| CAS Number | 391874-95-6 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC |
Product Overview
F0470-0345 (CAS 391874-95-6), with molecular formula C16H18N4O7S2 and molecular weight 442.06 g/mol. IUPAC: ethyl 2-[[5-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate.
Chemical Property Profile of F0470-0345
Property Insights of F0470-0345
The XLogP value of 2.7595 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0470-0345. The TPSA of 142.78 Ų indicates high polarity, suggesting F0470-0345 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0470-0345 has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0470-0345?
The CAS number of F0470-0345 is 391874-95-6.
What is the molecular formula of F0470-0345?
The molecular formula of F0470-0345 is C16H18N4O7S2.
What is the molecular weight of F0470-0345?
The molecular weight of F0470-0345 is 442.06 g/mol.
Where can I buy F0470-0345?
You can request a quote for F0470-0345 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0470-0345?
Yes, KEHONG BIO provides custom synthesis services for F0470-0345 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.