BIM-0008789.P001
TL;DR: BIM-0008789.P001 (CAS 302802-84-2) is a chemical compound with molecular formula C20H20BrNO6S and molecular weight 481.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Also Known As: BIM-0008789.P001, AF-399/13428156, dimethyl 2-{[(2-bromo-4-methylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, dimethyl 2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, 3,4-DIMETHYL 2-[2-(2-BROMO-4-METHYLPHENOXY)ACETAMIDO]-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3,4-DICARBOXYLATE
| Molecular Formula | C20H20BrNO6S |
|---|---|
| Molecular Weight | 481.02 g/mol |
| LogP | 3.82592 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.01947 |
| Heavy Atoms | 29 |
| Complexity | 970.1213 |
Chemical Identifiers
| CAS Number | 302802-84-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCC3C(=O)OC)C(=O)OC)Br |
Product Overview
BIM-0008789.P001 (CAS 302802-84-2), with molecular formula C20H20BrNO6S and molecular weight 481.02 g/mol. IUPAC: dimethyl 2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate.
Chemical Property Profile of BIM-0008789.P001
Property Insights of BIM-0008789.P001
The XLogP value of 3.82592 indicates that BIM-0008789.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0008789.P001. Following Lipinski's Rule of Five, BIM-0008789.P001 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 BIM-0008789.P001?
The CAS number of BIM-0008789.P001 is 302802-84-2.
What is the molecular formula of BIM-0008789.P001?
The molecular formula of BIM-0008789.P001 is C20H20BrNO6S.
What is the molecular weight of BIM-0008789.P001?
The molecular weight of BIM-0008789.P001 is 481.02 g/mol.
Where can I buy BIM-0008789.P001?
You can request a quote for BIM-0008789.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0008789.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0008789.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.