BAS 00386036
TL;DR: BAS 00386036 (CAS 327099-72-9) is a chemical compound with molecular formula C22H17BrN2O5 and molecular weight 468.03 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-(4-methylanilino)-3-oxoprop-1-en-2-yl]-5-bromofuran-2-carboxamide
Also Known As: BAS 00386036, N-(2-(1,3-benzodioxol-5-yl)-1-{[(4-methylphenyl)amino]carbonyl}vinyl)-5-bromo-2-furamide, (E)-N-(1-(benzo[d][1,3]dioxol-5-yl)-3-oxo-3-(p-tolylamino)prop-1-en-2-yl)-5-bromofuran-2-carboxamide, N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(4-methylanilino)-3-oxoprop-1-en-2-yl]-5-bromofuran-2-carboxamide, N-{(1E)-1-(1,3-benzodioxol-5-yl)-3-[(4-methylphenyl)amino]-3-oxoprop-1-en-2-yl}-5-bromofuran-2-carboxamide
| Molecular Formula | C22H17BrN2O5 |
|---|---|
| Molecular Weight | 468.03 g/mol |
| LogP | 4.48882 |
| Topological Polar Surface Area | 89.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.03207 |
| Heavy Atoms | 30 |
| Complexity | 1134.6846 |
Chemical Identifiers
| CAS Number | 327099-72-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC3=C(C=C2)OCO3)/NC(=O)C4=CC=C(O4)Br |
Product Overview
BAS 00386036 (CAS 327099-72-9), with molecular formula C22H17BrN2O5 and molecular weight 468.03 g/mol. IUPAC: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(4-methylanilino)-3-oxoprop-1-en-2-yl]-5-bromofuran-2-carboxamide.
Chemical Property Profile of BAS 00386036
Property Insights of BAS 00386036
The XLogP value of 4.48882 indicates that BAS 00386036 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00386036. Following Lipinski's Rule of Five, BAS 00386036 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 BAS 00386036?
The CAS number of BAS 00386036 is 327099-72-9.
What is the molecular formula of BAS 00386036?
The molecular formula of BAS 00386036 is C22H17BrN2O5.
What is the molecular weight of BAS 00386036?
The molecular weight of BAS 00386036 is 468.03 g/mol.
Where can I buy BAS 00386036?
You can request a quote for BAS 00386036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00386036?
Yes, KEHONG BIO provides custom synthesis services for BAS 00386036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.