BAS 00386021
TL;DR: BAS 00386021 (CAS 304879-31-0) is a chemical compound with molecular formula C21H21BrN2O7 and molecular weight 492.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enoyl]amino]hexanoic acid
Also Known As: BAS 00386021, 6-({3-(1,3-benzodioxol-5-yl)-2-[(5-bromo-2-furoyl)amino]acryloyl}amino)hexanoic acid, (E)-6-(3-(benzo[d][1,3]dioxol-5-yl)-2-(5-bromofuran-2-carboxamido)acrylamido)hexanoic acid, 6-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enoyl]amino]hexanoic acid, 6-{[(2E)-3-(1,3-benzodioxol-5-yl)-2-{[(5-bromofuran-2-yl)carbonyl]amino}prop-2-enoyl]amino}hexanoic acid
| Molecular Formula | C21H21BrN2O7 |
|---|---|
| Molecular Weight | 492.05 g/mol |
| LogP | 3.3029 |
| Topological Polar Surface Area | 127.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 492.05322 |
| Heavy Atoms | 31 |
| Complexity | 999.3645 |
Chemical Identifiers
| CAS Number | 304879-31-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)NCCCCCC(=O)O)/NC(=O)C3=CC=C(O3)Br |
Product Overview
BAS 00386021 (CAS 304879-31-0), with molecular formula C21H21BrN2O7 and molecular weight 492.05 g/mol. IUPAC: 6-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enoyl]amino]hexanoic acid.
Chemical Property Profile of BAS 00386021
Property Insights of BAS 00386021
The XLogP value of 3.3029 indicates that BAS 00386021 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00386021. Following Lipinski's Rule of Five, BAS 00386021 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 00386021?
The CAS number of BAS 00386021 is 304879-31-0.
What is the molecular formula of BAS 00386021?
The molecular formula of BAS 00386021 is C21H21BrN2O7.
What is the molecular weight of BAS 00386021?
The molecular weight of BAS 00386021 is 492.05 g/mol.
Where can I buy BAS 00386021?
You can request a quote for BAS 00386021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00386021?
Yes, KEHONG BIO provides custom synthesis services for BAS 00386021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.