C098-0575
TL;DR: C098-0575 (CAS 534579-93-6) is a chemical compound with molecular formula C26H19BrN4O5 and molecular weight 546.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(3-bromobenzoyl)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: C098-0575, F0565-0647, (Z)-ethyl 2-((3-bromobenzoyl)imino)-1-(furan-2-ylmethyl)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl (2Z)-2-{[(3-bromophenyl)carbonyl]imino}-1-(furan-2-ylmethyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ETHYL 2-[(3-BROMOBENZOYL)IMINO]-1-(2-FURYLMETHYL)-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXYLATE
| Molecular Formula | C26H19BrN4O5 |
|---|---|
| Molecular Weight | 546.05 g/mol |
| LogP | 3.9708 |
| Topological Polar Surface Area | 108.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 546.0539 |
| Heavy Atoms | 36 |
| Complexity | 1752.6285 |
Chemical Identifiers
| CAS Number | 534579-93-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=NC(=O)C4=CC(=CC=C4)Br)CC5=CC=CO5 |
Product Overview
C098-0575 (CAS 534579-93-6), with molecular formula C26H19BrN4O5 and molecular weight 546.05 g/mol. IUPAC: ethyl 6-(3-bromobenzoyl)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 C098-0575
Property Insights of C098-0575
The XLogP value of 3.9708 indicates that C098-0575 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 C098-0575. Following Lipinski's Rule of Five, C098-0575 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 C098-0575?
The CAS number of C098-0575 is 534579-93-6.
What is the molecular formula of C098-0575?
The molecular formula of C098-0575 is C26H19BrN4O5.
What is the molecular weight of C098-0575?
The molecular weight of C098-0575 is 546.05 g/mol.
Where can I buy C098-0575?
You can request a quote for C098-0575 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C098-0575?
Yes, KEHONG BIO provides custom synthesis services for C098-0575 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.