BIM-0046747.P001
TL;DR: BIM-0046747.P001 (CAS 351001-01-9) is a chemical compound with molecular formula C18H15Cl2NO5S and molecular weight 427.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[[4-(2,4-dichlorophenyl)-3-propan-2-yloxycarbonylthiophen-2-yl]amino]-4-oxobut-2-enoic acid
Also Known As: BIM-0046747.P001, (E)-4-[[4-(2,4-dichlorophenyl)-3-propan-2-yloxycarbonylthiophen-2-yl]amino]-4-oxobut-2-enoic acid, 4-{[4-(2,4-dichlorophenyl)-3-(isopropoxycarbonyl)thien-2-yl]amino}-4-oxobut-2-enoic acid, 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4-(2,4-dichlorophenyl)-, 3-(1-methylethyl) ester, (2E)-3-(N-{4-(2,4-dichlorophenyl)-3-[(methylethyl)oxycarbonyl](2-thienyl)}carb amoyl)prop-2-enoic acid
| Molecular Formula | C18H15Cl2NO5S |
|---|---|
| Molecular Weight | 427.00 g/mol |
| LogP | 4.8664 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.0048 |
| Heavy Atoms | 27 |
| Complexity | 920.47095 |
Chemical Identifiers
| CAS Number | 351001-01-9 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SC=C1C2=C(C=C(C=C2)Cl)Cl)NC(=O)/C=C/C(=O)O |
Product Overview
BIM-0046747.P001 (CAS 351001-01-9), with molecular formula C18H15Cl2NO5S and molecular weight 427.00 g/mol. IUPAC: (E)-4-[[4-(2,4-dichlorophenyl)-3-propan-2-yloxycarbonylthiophen-2-yl]amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of BIM-0046747.P001
Property Insights of BIM-0046747.P001
The XLogP value of 4.8664 indicates that BIM-0046747.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0046747.P001. Following Lipinski's Rule of Five, BIM-0046747.P001 has 2 hydrogen bond donor(s) and 5 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-0046747.P001?
The CAS number of BIM-0046747.P001 is 351001-01-9.
What is the molecular formula of BIM-0046747.P001?
The molecular formula of BIM-0046747.P001 is C18H15Cl2NO5S.
What is the molecular weight of BIM-0046747.P001?
The molecular weight of BIM-0046747.P001 is 427.00 g/mol.
Where can I buy BIM-0046747.P001?
You can request a quote for BIM-0046747.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0046747.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0046747.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.