C098-0723
TL;DR: C098-0723 (CAS 685859-83-0) is a chemical compound with molecular formula C28H29ClN4O5 and molecular weight 536.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-butyl-6-[2-(4-chlorophenoxy)-2-methylpropanoyl]imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: C098-0723, F0595-0033, (E)-ethyl 1-butyl-2-((2-(4-chlorophenoxy)-2-methylpropanoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl (6E)-7-butyl-6-{[2-(4-chlorophenoxy)-2-methylpropanoyl]imino}-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate, ethyl (2E)-1-butyl-2-{[2-(4-chlorophenoxy)-2-methylpropanoyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
| Molecular Formula | C28H29ClN4O5 |
|---|---|
| Molecular Weight | 536.18 g/mol |
| LogP | 4.5643 |
| Topological Polar Surface Area | 104.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 536.1826 |
| Heavy Atoms | 38 |
| Complexity | 1637.9373 |
Chemical Identifiers
| CAS Number | 685859-83-0 |
|---|---|
| SMILES | CCCCN1C2=C(C=C(C1=NC(=O)C(C)(C)OC3=CC=C(C=C3)Cl)C(=O)OCC)C(=O)N4C=CC=CC4=N2 |
Product Overview
C098-0723 (CAS 685859-83-0), with molecular formula C28H29ClN4O5 and molecular weight 536.18 g/mol. IUPAC: ethyl 7-butyl-6-[2-(4-chlorophenoxy)-2-methylpropanoyl]imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
Chemical Property Profile of C098-0723
Property Insights of C098-0723
The XLogP value of 4.5643 indicates that C098-0723 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.26 Ų falls within the moderate polarity range, balancing permeability and solubility for C098-0723. Following Lipinski's Rule of Five, C098-0723 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C098-0723?
The CAS number of C098-0723 is 685859-83-0.
What is the molecular formula of C098-0723?
The molecular formula of C098-0723 is C28H29ClN4O5.
What is the molecular weight of C098-0723?
The molecular weight of C098-0723 is 536.18 g/mol.
Where can I buy C098-0723?
You can request a quote for C098-0723 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C098-0723?
Yes, KEHONG BIO provides custom synthesis services for C098-0723 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.