BIM-0045770.P001
TL;DR: BIM-0045770.P001 (CAS 352684-61-8) is a chemical compound with molecular formula C18H19N3O6S and molecular weight 405.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-carbamoyl-3-methyl-5-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2-carboxylate
Also Known As: BIM-0045770.P001, propan-2-yl 4-carbamoyl-3-methyl-5-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2-carboxylate, isopropyl 4-(aminocarbonyl)-5-({4-nitro-3-methylbenzoyl}amino)-3-methyl-2-thiophenecarboxylate, ISOPROPYL 4-CARBAMOYL-3-METHYL-5-(3-METHYL-4-NITROBENZAMIDO)THIOPHENE-2-CARBOXYLATE, ISOPROPYL 4-(AMINOCARBONYL)-3-METHYL-5-[(3-METHYL-4-NITROBENZOYL)AMINO]-2-THIOPHENECARBOXYLATE
| Molecular Formula | C18H19N3O6S |
|---|---|
| Molecular Weight | 405.10 g/mol |
| LogP | 3.18954 |
| Topological Polar Surface Area | 141.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.09946 |
| Heavy Atoms | 28 |
| Complexity | 979.9408 |
Chemical Identifiers
| CAS Number | 352684-61-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NC2=C(C(=C(S2)C(=O)OC(C)C)C)C(=O)N)[N+](=O)[O-] |
Product Overview
BIM-0045770.P001 (CAS 352684-61-8), with molecular formula C18H19N3O6S and molecular weight 405.10 g/mol. IUPAC: propan-2-yl 4-carbamoyl-3-methyl-5-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2-carboxylate.
Chemical Property Profile of BIM-0045770.P001
Property Insights of BIM-0045770.P001
The XLogP value of 3.18954 indicates that BIM-0045770.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.63 Ų indicates high polarity, suggesting BIM-0045770.P001 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BIM-0045770.P001 has 2 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-0045770.P001?
The CAS number of BIM-0045770.P001 is 352684-61-8.
What is the molecular formula of BIM-0045770.P001?
The molecular formula of BIM-0045770.P001 is C18H19N3O6S.
What is the molecular weight of BIM-0045770.P001?
The molecular weight of BIM-0045770.P001 is 405.10 g/mol.
Where can I buy BIM-0045770.P001?
You can request a quote for BIM-0045770.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0045770.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0045770.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.