C098-0581
TL;DR: C098-0581 (CAS 534579-98-1) is a chemical compound with molecular formula C30H28N4O5 and molecular weight 524.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(4-tert-butylbenzoyl)imino-7-(furan-2-ylmethyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: C098-0581, F0565-0653, (Z)-ethyl 2-((4-(tert-butyl)benzoyl)imino)-1-(furan-2-ylmethyl)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl (2Z)-2-{[(4-tert-butylphenyl)carbonyl]imino}-1-(furan-2-ylmethyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ETHYL 2-{[4-(TERT-BUTYL)BENZOYL]IMINO}-1-(2-FURYLMETHYL)-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXYLATE
| Molecular Formula | C30H28N4O5 |
|---|---|
| Molecular Weight | 524.21 g/mol |
| LogP | 4.5058 |
| Topological Polar Surface Area | 108.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 524.206 |
| Heavy Atoms | 39 |
| Complexity | 1822.9099 |
Chemical Identifiers
| CAS Number | 534579-98-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=NC(=O)C4=CC=C(C=C4)C(C)(C)C)CC5=CC=CO5 |
Product Overview
C098-0581 (CAS 534579-98-1), with molecular formula C30H28N4O5 and molecular weight 524.21 g/mol. IUPAC: ethyl 6-(4-tert-butylbenzoyl)imino-7-(furan-2-ylmethyl)-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 C098-0581
Property Insights of C098-0581
The XLogP value of 4.5058 indicates that C098-0581 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.17 Ų falls within the moderate polarity range, balancing permeability and solubility for C098-0581. Following Lipinski's Rule of Five, C098-0581 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 C098-0581?
The CAS number of C098-0581 is 534579-98-1.
What is the molecular formula of C098-0581?
The molecular formula of C098-0581 is C30H28N4O5.
What is the molecular weight of C098-0581?
The molecular weight of C098-0581 is 524.21 g/mol.
Where can I buy C098-0581?
You can request a quote for C098-0581 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C098-0581?
Yes, KEHONG BIO provides custom synthesis services for C098-0581 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.