C098-0649
TL;DR: C098-0649 (CAS 534580-63-7) is a chemical compound with molecular formula C28H28N4O6 and molecular weight 516.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(4-ethoxybenzoyl)imino-2-oxo-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: C098-0649, F0565-0730, (Z)-ethyl 2-((4-ethoxybenzoyl)imino)-5-oxo-1-((tetrahydrofuran-2-yl)methyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl (2Z)-2-{[(4-ethoxyphenyl)carbonyl]imino}-5-oxo-1-(tetrahydrofuran-2-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ETHYL 2-[(4-ETHOXYBENZOYL)IMINO]-5-OXO-1-(TETRAHYDRO-2-FURANYLMETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXYLATE
| Molecular Formula | C28H28N4O6 |
|---|---|
| Molecular Weight | 516.20 g/mol |
| LogP | 3.1447 |
| Topological Polar Surface Area | 113.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 516.20087 |
| Heavy Atoms | 38 |
| Complexity | 1632.0371 |
Chemical Identifiers
| CAS Number | 534580-63-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)N=C2C(=CC3=C(N2CC4CCCO4)N=C5C=CC=CN5C3=O)C(=O)OCC |
Product Overview
C098-0649 (CAS 534580-63-7), with molecular formula C28H28N4O6 and molecular weight 516.20 g/mol. IUPAC: ethyl 6-(4-ethoxybenzoyl)imino-2-oxo-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
Chemical Property Profile of C098-0649
Property Insights of C098-0649
The XLogP value of 3.1447 indicates that C098-0649 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.49 Ų falls within the moderate polarity range, balancing permeability and solubility for C098-0649. Following Lipinski's Rule of Five, C098-0649 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C098-0649?
The CAS number of C098-0649 is 534580-63-7.
What is the molecular formula of C098-0649?
The molecular formula of C098-0649 is C28H28N4O6.
What is the molecular weight of C098-0649?
The molecular weight of C098-0649 is 516.20 g/mol.
Where can I buy C098-0649?
You can request a quote for C098-0649 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C098-0649?
Yes, KEHONG BIO provides custom synthesis services for C098-0649 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.