BAS 03078346
TL;DR: BAS 03078346 (CAS 314261-51-3) is a chemical compound with molecular formula C23H17FN2O5S and molecular weight 452.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate
Also Known As: BAS 03078346, AF-399/15030066, ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate, ethyl 2-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}-4-(4-fluorophenyl)-3-thiophenecarboxylate, ethyl 2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-4-(4-fluorophenyl)thiophene-3-carboxylate
| Molecular Formula | C23H17FN2O5S |
|---|---|
| Molecular Weight | 452.08 g/mol |
| LogP | 3.9656 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.08423 |
| Heavy Atoms | 32 |
| Complexity | 1200.4387 |
Chemical Identifiers
| CAS Number | 314261-51-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O |
Product Overview
BAS 03078346 (CAS 314261-51-3), with molecular formula C23H17FN2O5S and molecular weight 452.08 g/mol. IUPAC: ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate.
Chemical Property Profile of BAS 03078346
Property Insights of BAS 03078346
The XLogP value of 3.9656 indicates that BAS 03078346 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03078346. Following Lipinski's Rule of Five, BAS 03078346 has 1 hydrogen bond donor(s) and 6 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 BAS 03078346?
The CAS number of BAS 03078346 is 314261-51-3.
What is the molecular formula of BAS 03078346?
The molecular formula of BAS 03078346 is C23H17FN2O5S.
What is the molecular weight of BAS 03078346?
The molecular weight of BAS 03078346 is 452.08 g/mol.
Where can I buy BAS 03078346?
You can request a quote for BAS 03078346 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03078346?
Yes, KEHONG BIO provides custom synthesis services for BAS 03078346 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.