BAS 00386028
TL;DR: BAS 00386028 (CAS 331661-67-7) is a chemical compound with molecular formula C17H15BrN2O6 and molecular weight 422.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]-5-bromofuran-2-carboxamide
Also Known As: BAS 00386028, (2E)-3-(2H-1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-yl)formamido]-N-(2-hydroxyethyl)prop-2-enamide, (2E)-3-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-2-[(5-bromo(2-furyl))carbonylamino]- N-(2-hydroxyethyl)prop-2-enamide, (E)-N-(1-(benzo[d][1,3]dioxol-5-yl)-3-((2-hydroxyethyl)amino)-3-oxoprop-1-en-2-yl)-5-bromofuran-2-carboxamide, N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]-5-bromofuran-2-carboxamide
| Molecular Formula | C17H15BrN2O6 |
|---|---|
| Molecular Weight | 422.01 g/mol |
| LogP | 1.6502 |
| Topological Polar Surface Area | 110.03 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.01135 |
| Heavy Atoms | 26 |
| Complexity | 860.68805 |
Chemical Identifiers
| CAS Number | 331661-67-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)NCCO)/NC(=O)C3=CC=C(O3)Br |
Product Overview
BAS 00386028 (CAS 331661-67-7), with molecular formula C17H15BrN2O6 and molecular weight 422.01 g/mol. IUPAC: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]-5-bromofuran-2-carboxamide.
Chemical Property Profile of BAS 00386028
Property Insights of BAS 00386028
The XLogP value of 1.6502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00386028. The TPSA of 110.03 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00386028. Following Lipinski's Rule of Five, BAS 00386028 has 3 hydrogen bond donor(s) and 6 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 BAS 00386028?
The CAS number of BAS 00386028 is 331661-67-7.
What is the molecular formula of BAS 00386028?
The molecular formula of BAS 00386028 is C17H15BrN2O6.
What is the molecular weight of BAS 00386028?
The molecular weight of BAS 00386028 is 422.01 g/mol.
Where can I buy BAS 00386028?
You can request a quote for BAS 00386028 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00386028?
Yes, KEHONG BIO provides custom synthesis services for BAS 00386028 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.