AF-399/15540342
TL;DR: AF-399/15540342 (CAS 379248-95-0) is a chemical compound with molecular formula C22H19NO5S and molecular weight 409.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-5-phenylthiophene-3-carboxylate
Also Known As: AF-399/15540342, ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-5-phenylthiophene-3-carboxylate, ethyl 2-[(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]-5-phenyl-3-thiophenecarboxylate, ethyl 2-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-5-phenylthiophene-3-carboxylate, ethyl 2-(2H,3H-benzo[3,4-e]1,4-dioxin-6-ylcarbonylamino)-5-phenylthiophene-3-c arboxylate
| Molecular Formula | C22H19NO5S |
|---|---|
| Molecular Weight | 409.10 g/mol |
| LogP | 4.6153 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.0984 |
| Heavy Atoms | 29 |
| Complexity | 1044.6111 |
Chemical Identifiers
| CAS Number | 379248-95-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)OCCO4 |
Product Overview
AF-399/15540342 (CAS 379248-95-0), with molecular formula C22H19NO5S and molecular weight 409.10 g/mol. IUPAC: ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-5-phenylthiophene-3-carboxylate.
Chemical Property Profile of AF-399/15540342
Property Insights of AF-399/15540342
The XLogP value of 4.6153 indicates that AF-399/15540342 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/15540342. Following Lipinski's Rule of Five, AF-399/15540342 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 AF-399/15540342?
The CAS number of AF-399/15540342 is 379248-95-0.
What is the molecular formula of AF-399/15540342?
The molecular formula of AF-399/15540342 is C22H19NO5S.
What is the molecular weight of AF-399/15540342?
The molecular weight of AF-399/15540342 is 409.10 g/mol.
Where can I buy AF-399/15540342?
You can request a quote for AF-399/15540342 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15540342?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15540342 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.