BIM-0039049.P001
TL;DR: BIM-0039049.P001 (CAS 354537-74-9) is a chemical compound with molecular formula C22H20Cl2N2O4S and molecular weight 478.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BIM-0039049.P001, ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C22H20Cl2N2O4S |
|---|---|
| Molecular Weight | 478.05 g/mol |
| LogP | 6.32612 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.0521 |
| Heavy Atoms | 31 |
| Complexity | 1148.4652 |
Chemical Identifiers
| CAS Number | 354537-74-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)Cl)C |
Product Overview
BIM-0039049.P001 (CAS 354537-74-9), with molecular formula C22H20Cl2N2O4S and molecular weight 478.05 g/mol. IUPAC: ethyl 2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BIM-0039049.P001
Property Insights of BIM-0039049.P001
The XLogP value of 6.32612 indicates that BIM-0039049.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0039049.P001. Following Lipinski's Rule of Five, BIM-0039049.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-0039049.P001?
The CAS number of BIM-0039049.P001 is 354537-74-9.
What is the molecular formula of BIM-0039049.P001?
The molecular formula of BIM-0039049.P001 is C22H20Cl2N2O4S.
What is the molecular weight of BIM-0039049.P001?
The molecular weight of BIM-0039049.P001 is 478.05 g/mol.
Where can I buy BIM-0039049.P001?
You can request a quote for BIM-0039049.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0039049.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0039049.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.