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Benz[a]anthracene, 7-allyl-
TL;DR: Benz[a]anthracene, 7-allyl- (CAS 6366-17-2) is a chemical compound with molecular formula C31H29N3O2S and molecular weight 507.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-ethoxyphenyl)-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]quinoline-4-carboxamide
Also Known As: Benz[a]anthracene, 7-allyl-, 2-(4-ethoxyphenyl)-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]quinoline-4-carboxamide, 2-(4-Ethoxyphenyl)-N-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}quinoline-4-carboxamide
| Molecular Formula | C31H29N3O2S |
|---|---|
| Molecular Weight | 507.20 g/mol |
| LogP | 7.8748 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 507.19806 |
| Heavy Atoms | 37 |
| Complexity | 1522.954 |
Chemical Identifiers
| CAS Number | 6366-17-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC(=CS4)C5=CC=C(C=C5)CC(C)C |
Product Overview
Benz[a]anthracene, 7-allyl- (CAS 6366-17-2), with molecular formula C31H29N3O2S and molecular weight 507.20 g/mol. IUPAC: 2-(4-ethoxyphenyl)-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]quinoline-4-carboxamide.
Chemical Property Profile of Benz[a]anthracene, 7-allyl-
Property Insights of Benz[a]anthracene, 7-allyl-
The XLogP value of 7.8748 indicates that Benz[a]anthracene, 7-allyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Benz[a]anthracene, 7-allyl-. Following Lipinski's Rule of Five, Benz[a]anthracene, 7-allyl- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benz[a]anthracene, 7-allyl-?
The CAS number of Benz[a]anthracene, 7-allyl- is 6366-17-2.
What is the molecular formula of Benz[a]anthracene, 7-allyl-?
The molecular formula of Benz[a]anthracene, 7-allyl- is C31H29N3O2S.
What is the molecular weight of Benz[a]anthracene, 7-allyl-?
The molecular weight of Benz[a]anthracene, 7-allyl- is 507.20 g/mol.
Where can I buy Benz[a]anthracene, 7-allyl-?
You can request a quote for Benz[a]anthracene, 7-allyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benz[a]anthracene, 7-allyl-?
Yes, KEHONG BIO provides custom synthesis services for Benz[a]anthracene, 7-allyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.