BAS 00218768
TL;DR: BAS 00218768 (CAS 306319-47-1) is a chemical compound with molecular formula C33H44N2O3 and molecular weight 516.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[4-(octylamino)-9,10-dioxoanthracen-1-yl]cyclohexane-1-carboxamide
Also Known As: BAS 00218768, 4-tert-butyl-N-[4-(octylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]cyclohexanecarboxamide, 4-tert-butyl-N-[4-(octylamino)-9,10-dioxoanthracen-1-yl]cyclohexane-1-carboxamide
| Molecular Formula | C33H44N2O3 |
|---|---|
| Molecular Weight | 516.34 g/mol |
| LogP | 8.0254 |
| Topological Polar Surface Area | 75.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 516.3352 |
| Heavy Atoms | 38 |
| Complexity | 1169.2476 |
Chemical Identifiers
| CAS Number | 306319-47-1 |
|---|---|
| SMILES | CCCCCCCCNC1=C2C(=C(C=C1)NC(=O)C3CCC(CC3)C(C)(C)C)C(=O)C4=CC=CC=C4C2=O |
Product Overview
BAS 00218768 (CAS 306319-47-1), with molecular formula C33H44N2O3 and molecular weight 516.34 g/mol. IUPAC: 4-tert-butyl-N-[4-(octylamino)-9,10-dioxoanthracen-1-yl]cyclohexane-1-carboxamide.
Chemical Property Profile of BAS 00218768
Property Insights of BAS 00218768
The XLogP value of 8.0254 indicates that BAS 00218768 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.27 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00218768. Following Lipinski's Rule of Five, BAS 00218768 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00218768?
The CAS number of BAS 00218768 is 306319-47-1.
What is the molecular formula of BAS 00218768?
The molecular formula of BAS 00218768 is C33H44N2O3.
What is the molecular weight of BAS 00218768?
The molecular weight of BAS 00218768 is 516.34 g/mol.
Where can I buy BAS 00218768?
You can request a quote for BAS 00218768 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00218768?
Yes, KEHONG BIO provides custom synthesis services for BAS 00218768 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.