ChemDiv2_007199
TL;DR: ChemDiv2_007199 (CAS 866811-62-3) is a chemical compound with molecular formula C26H24N4O5S and molecular weight 504.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(11-acetyl-3,5-dioxo-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl)-N-(2-methoxyphenyl)acetamide
Also Known As: ChemDiv2_007199, IDI1_005914, 2-(7-acetyl-2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(2-methoxyphenyl)acetamide, F1605-0235, 2-(11-acetyl-3,5-dioxo-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl)-N-(2-methoxyphenyl)acetamide
| Molecular Formula | C26H24N4O5S |
|---|---|
| Molecular Weight | 504.15 g/mol |
| LogP | 2.7658 |
| Topological Polar Surface Area | 102.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.14673 |
| Heavy Atoms | 36 |
| Complexity | 1602.6146 |
Chemical Identifiers
| CAS Number | 866811-62-3 |
|---|---|
| SMILES | CC(=O)N1CCC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC(=O)NC4=CC=CC=C4OC)C5=CC=CC=C5 |
Product Overview
ChemDiv2_007199 (CAS 866811-62-3), with molecular formula C26H24N4O5S and molecular weight 504.15 g/mol. IUPAC: 2-(11-acetyl-3,5-dioxo-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl)-N-(2-methoxyphenyl)acetamide.
Chemical Property Profile of ChemDiv2_007199
Property Insights of ChemDiv2_007199
The XLogP value of 2.7658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_007199. The TPSA of 102.64 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_007199. Following Lipinski's Rule of Five, ChemDiv2_007199 has 1 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 ChemDiv2_007199?
The CAS number of ChemDiv2_007199 is 866811-62-3.
What is the molecular formula of ChemDiv2_007199?
The molecular formula of ChemDiv2_007199 is C26H24N4O5S.
What is the molecular weight of ChemDiv2_007199?
The molecular weight of ChemDiv2_007199 is 504.15 g/mol.
Where can I buy ChemDiv2_007199?
You can request a quote for ChemDiv2_007199 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_007199?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_007199 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.