BIM-0030513.P001
TL;DR: BIM-0030513.P001 (CAS 424818-48-4) is a chemical compound with molecular formula C20H20N2O6S and molecular weight 416.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-carbamoyl-3-methylthiophene-2-carboxylate
Also Known As: BIM-0030513.P001, isopropyl 4-(aminocarbonyl)-5-{[3-(1,3-benzodioxol-5-yl)acryloyl]amino}-3-methyl-2-thiophenecarboxylate, propan-2-yl 5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-carbamoyl-3-methylthiophene-2-carboxylate, (E)-isopropyl 5-(3-(benzo[d][1,3]dioxol-5-yl)acrylamido)-4-carbamoyl-3-methylthiophene-2-carboxylate, propan-2-yl 5-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-4-carbamoyl-3-methylthiophene-2-carboxylate
| Molecular Formula | C20H20N2O6S |
|---|---|
| Molecular Weight | 416.10 g/mol |
| LogP | 3.10122 |
| Topological Polar Surface Area | 116.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.10422 |
| Heavy Atoms | 29 |
| Complexity | 1008.6406 |
Chemical Identifiers
| CAS Number | 424818-48-4 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)N)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C(=O)OC(C)C |
Product Overview
BIM-0030513.P001 (CAS 424818-48-4), with molecular formula C20H20N2O6S and molecular weight 416.10 g/mol. IUPAC: propan-2-yl 5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-carbamoyl-3-methylthiophene-2-carboxylate.
Chemical Property Profile of BIM-0030513.P001
Property Insights of BIM-0030513.P001
The XLogP value of 3.10122 indicates that BIM-0030513.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.95 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0030513.P001. Following Lipinski's Rule of Five, BIM-0030513.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-0030513.P001?
The CAS number of BIM-0030513.P001 is 424818-48-4.
What is the molecular formula of BIM-0030513.P001?
The molecular formula of BIM-0030513.P001 is C20H20N2O6S.
What is the molecular weight of BIM-0030513.P001?
The molecular weight of BIM-0030513.P001 is 416.10 g/mol.
Where can I buy BIM-0030513.P001?
You can request a quote for BIM-0030513.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0030513.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0030513.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.