BIM-0045866.P001
TL;DR: BIM-0045866.P001 (CAS 420832-13-9) is a chemical compound with molecular formula C23H29ClN2O5S and molecular weight 480.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Also Known As: BIM-0045866.P001, methyl 2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate, methyl 2-{[4-(4-chloro-2-methylphenoxy)butanoyl]amino}-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate, methyl 5-(N,N-diethylcarbamoyl)-2-[4-(4-chloro-2-methylphenoxy)butanoylamino]- 4-methylthiophene-3-carboxylate
| Molecular Formula | C23H29ClN2O5S |
|---|---|
| Molecular Weight | 480.15 g/mol |
| LogP | 5.08464 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 480.14856 |
| Heavy Atoms | 32 |
| Complexity | 985.00665 |
Chemical Identifiers
| CAS Number | 420832-13-9 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)CCCOC2=C(C=C(C=C2)Cl)C)C(=O)OC)C |
Product Overview
BIM-0045866.P001 (CAS 420832-13-9), with molecular formula C23H29ClN2O5S and molecular weight 480.15 g/mol. IUPAC: methyl 2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate.
Chemical Property Profile of BIM-0045866.P001
Property Insights of BIM-0045866.P001
The XLogP value of 5.08464 indicates that BIM-0045866.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0045866.P001. Following Lipinski's Rule of Five, BIM-0045866.P001 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0045866.P001?
The CAS number of BIM-0045866.P001 is 420832-13-9.
What is the molecular formula of BIM-0045866.P001?
The molecular formula of BIM-0045866.P001 is C23H29ClN2O5S.
What is the molecular weight of BIM-0045866.P001?
The molecular weight of BIM-0045866.P001 is 480.15 g/mol.
Where can I buy BIM-0045866.P001?
You can request a quote for BIM-0045866.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0045866.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0045866.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.