BAS 00218061
TL;DR: BAS 00218061 (CAS 306319-32-4) is a chemical compound with molecular formula C21H16Cl3N and molecular weight 387.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-(3,3-dichloroprop-2-enyl)-6-methyl-2-[(E)-2-phenylethenyl]quinoline
Also Known As: BAS 00218061, 4-Chloro-3-(3,3-dichloro-allyl)-6-methyl-2-styryl-quinoline, (E)-4-chloro-3-(3,3-dichloroallyl)-6-methyl-2-styrylquinoline, 4-chloro-3-(3,3-dichloroprop-2-en-1-yl)-6-methyl-2-[(E)-2-phenylethenyl]quinoline, 4-chloro-3-(3,3-dichloroprop-2-enyl)-6-methyl-2-[(E)-2-phenylethenyl]quinoline
| Molecular Formula | C21H16Cl3N |
|---|---|
| Molecular Weight | 387.03 g/mol |
| LogP | 7.22852 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.03482 |
| Heavy Atoms | 25 |
| Complexity | 955.7872 |
Chemical Identifiers
| CAS Number | 306319-32-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(C(=C2Cl)CC=C(Cl)Cl)/C=C/C3=CC=CC=C3 |
Product Overview
BAS 00218061 (CAS 306319-32-4), with molecular formula C21H16Cl3N and molecular weight 387.03 g/mol. IUPAC: 4-chloro-3-(3,3-dichloroprop-2-enyl)-6-methyl-2-[(E)-2-phenylethenyl]quinoline.
Chemical Property Profile of BAS 00218061
Property Insights of BAS 00218061
The XLogP value of 7.22852 indicates that BAS 00218061 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, BAS 00218061 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00218061 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00218061?
The CAS number of BAS 00218061 is 306319-32-4.
What is the molecular formula of BAS 00218061?
The molecular formula of BAS 00218061 is C21H16Cl3N.
What is the molecular weight of BAS 00218061?
The molecular weight of BAS 00218061 is 387.03 g/mol.
Where can I buy BAS 00218061?
You can request a quote for BAS 00218061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00218061?
Yes, KEHONG BIO provides custom synthesis services for BAS 00218061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.