BAS 02986248
TL;DR: BAS 02986248 (CAS 333750-55-3) is a chemical compound with molecular formula C23H22ClN3O2 and molecular weight 407.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide
Also Known As: BAS 02986248, (2E)-3-[1-(2-chlorobenzyl)-1H-indol-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide, (2E)-3-{1-[(2-chlorophenyl)methyl]indol-3-yl}-2-cyano-N-(3-methoxypropyl)prop- 2-enamide, (E)-3-(1-(2-chlorobenzyl)-1H-indol-3-yl)-2-cyano-N-(3-methoxypropyl)acrylamide, (E)-3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide
| Molecular Formula | C23H22ClN3O2 |
|---|---|
| Molecular Weight | 407.14 g/mol |
| LogP | 4.40268 |
| Topological Polar Surface Area | 67.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 407.14005 |
| Heavy Atoms | 29 |
| Complexity | 1079.1616 |
Chemical Identifiers
| CAS Number | 333750-55-3 |
|---|---|
| SMILES | COCCCNC(=O)/C(=C/C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3Cl)/C#N |
Product Overview
BAS 02986248 (CAS 333750-55-3), with molecular formula C23H22ClN3O2 and molecular weight 407.14 g/mol. IUPAC: (E)-3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide.
Chemical Property Profile of BAS 02986248
Property Insights of BAS 02986248
The XLogP value of 4.40268 indicates that BAS 02986248 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02986248. Following Lipinski's Rule of Five, BAS 02986248 has 1 hydrogen bond donor(s) and 3 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 02986248?
The CAS number of BAS 02986248 is 333750-55-3.
What is the molecular formula of BAS 02986248?
The molecular formula of BAS 02986248 is C23H22ClN3O2.
What is the molecular weight of BAS 02986248?
The molecular weight of BAS 02986248 is 407.14 g/mol.
Where can I buy BAS 02986248?
You can request a quote for BAS 02986248 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02986248?
Yes, KEHONG BIO provides custom synthesis services for BAS 02986248 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.