C694-0103
TL;DR: C694-0103 (CAS 866344-44-7) is a chemical compound with molecular formula C29H31N3O4S and molecular weight 517.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-[(2,5-dimethylphenyl)methyl]-4-(4-ethylphenyl)-3,5-dioxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-11-carboxylate
Also Known As: C694-0103, F1602-0424, ethyl 1-(2,5-dimethylbenzyl)-3-(4-ethylphenyl)-2,4-dioxo-1,2,3,4,5,6-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(8H)-carboxylate, ethyl 6-[(2,5-dimethylphenyl)methyl]-4-(4-ethylphenyl)-3,5-dioxo-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-diene-11-carboxylate, ethyl 1-(2,5-dimethylbenzyl)-3-(4-ethylphenyl)-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
| Molecular Formula | C29H31N3O4S |
|---|---|
| Molecular Weight | 517.20 g/mol |
| LogP | 4.95604 |
| Topological Polar Surface Area | 73.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 517.20355 |
| Heavy Atoms | 37 |
| Complexity | 1611.6451 |
Chemical Identifiers
| CAS Number | 866344-44-7 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C(=O)C3=C(N(C2=O)CC4=C(C=CC(=C4)C)C)SC5=C3CCN(C5)C(=O)OCC |
Product Overview
C694-0103 (CAS 866344-44-7), with molecular formula C29H31N3O4S and molecular weight 517.20 g/mol. IUPAC: ethyl 6-[(2,5-dimethylphenyl)methyl]-4-(4-ethylphenyl)-3,5-dioxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-11-carboxylate.
Chemical Property Profile of C694-0103
Property Insights of C694-0103
The XLogP value of 4.95604 indicates that C694-0103 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.54 Ų falls within the moderate polarity range, balancing permeability and solubility for C694-0103. Following Lipinski's Rule of Five, C694-0103 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C694-0103?
The CAS number of C694-0103 is 866344-44-7.
What is the molecular formula of C694-0103?
The molecular formula of C694-0103 is C29H31N3O4S.
What is the molecular weight of C694-0103?
The molecular weight of C694-0103 is 517.20 g/mol.
Where can I buy C694-0103?
You can request a quote for C694-0103 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C694-0103?
Yes, KEHONG BIO provides custom synthesis services for C694-0103 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.