BAS 01086072
TL;DR: BAS 01086072 (CAS 341986-03-6) is a chemical compound with molecular formula C17H11BrN4O2 and molecular weight 382.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-bromo-2-hydroxy-1-prop-2-ynylindol-3-yl)iminopyridine-4-carboxamide
Also Known As: BAS 01086072, N'-[(3E)-5-bromo-2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydro-3H-indol-3-ylidene]pyridine-4-carbohydrazide, (E)-N'-(5-bromo-2-oxo-1-(prop-2-yn-1-yl)indolin-3-ylidene)isonicotinohydrazide, N-[(5-bromo-2-oxo-1-prop-2-ynylbenzo[d]azolin-3-ylidene)azamethyl]-4-pyridylca rboxamide, N-[(5-bromo-2-oxo-1-prop-2-ynylindol-3-ylidene)amino]pyridine-4-carboxamide
| Molecular Formula | C17H11BrN4O2 |
|---|---|
| Molecular Weight | 382.01 g/mol |
| LogP | 4.0617 |
| Topological Polar Surface Area | 79.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.00653 |
| Heavy Atoms | 24 |
| Complexity | 987.23346 |
Chemical Identifiers
| CAS Number | 341986-03-6 |
|---|---|
| SMILES | C#CCN1C2=C(C=C(C=C2)Br)C(=C1O)N=NC(=O)C3=CC=NC=C3 |
Product Overview
BAS 01086072 (CAS 341986-03-6), with molecular formula C17H11BrN4O2 and molecular weight 382.01 g/mol. IUPAC: N-(5-bromo-2-hydroxy-1-prop-2-ynylindol-3-yl)iminopyridine-4-carboxamide.
Chemical Property Profile of BAS 01086072
Property Insights of BAS 01086072
The XLogP value of 4.0617 indicates that BAS 01086072 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01086072. Following Lipinski's Rule of Five, BAS 01086072 has 1 hydrogen bond donor(s) and 4 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 01086072?
The CAS number of BAS 01086072 is 341986-03-6.
What is the molecular formula of BAS 01086072?
The molecular formula of BAS 01086072 is C17H11BrN4O2.
What is the molecular weight of BAS 01086072?
The molecular weight of BAS 01086072 is 382.01 g/mol.
Where can I buy BAS 01086072?
You can request a quote for BAS 01086072 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01086072?
Yes, KEHONG BIO provides custom synthesis services for BAS 01086072 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.