AE-641/40790552
TL;DR: AE-641/40790552 (CAS 369396-87-2) is a chemical compound with molecular formula C17H15BrN2O5S and molecular weight 437.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(5-bromopyridine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Also Known As: AE-641/40790552, dimethyl 2-{[(5-bromopyridin-3-yl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, dimethyl 2-(5-bromonicotinamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, dimethyl 2-[(5-bromopyridine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, dimethyl 2-{[(5-bromo-3-pyridinyl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
| Molecular Formula | C17H15BrN2O5S |
|---|---|
| Molecular Weight | 437.99 g/mol |
| LogP | 3.1473 |
| Topological Polar Surface Area | 94.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.9885 |
| Heavy Atoms | 26 |
| Complexity | 895.27356 |
Chemical Identifiers
| CAS Number | 369396-87-2 |
|---|---|
| SMILES | COC(=O)C1CCC2=C1C(=C(S2)NC(=O)C3=CC(=CN=C3)Br)C(=O)OC |
Product Overview
AE-641/40790552 (CAS 369396-87-2), with molecular formula C17H15BrN2O5S and molecular weight 437.99 g/mol. IUPAC: dimethyl 2-[(5-bromopyridine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate.
Chemical Property Profile of AE-641/40790552
Property Insights of AE-641/40790552
The XLogP value of 3.1473 indicates that AE-641/40790552 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/40790552. Following Lipinski's Rule of Five, AE-641/40790552 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 AE-641/40790552?
The CAS number of AE-641/40790552 is 369396-87-2.
What is the molecular formula of AE-641/40790552?
The molecular formula of AE-641/40790552 is C17H15BrN2O5S.
What is the molecular weight of AE-641/40790552?
The molecular weight of AE-641/40790552 is 437.99 g/mol.
Where can I buy AE-641/40790552?
You can request a quote for AE-641/40790552 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/40790552?
Yes, KEHONG BIO provides custom synthesis services for AE-641/40790552 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.