ChemDiv2_004779
TL;DR: ChemDiv2_004779 (CAS 487035-55-2) is a chemical compound with molecular formula C27H26N4O3S and molecular weight 486.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[13,13-dimethyl-6-(3-methylphenyl)-7-oxo-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-5-yl]sulfanyl]-N-phenylacetamide
Also Known As: ChemDiv2_004779, IDI1_003494, 2-{[8,8-dimethyl-3-(3-methylphenyl)-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenylacetamide, 2-((8,8-dimethyl-4-oxo-3-(m-tolyl)-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenylacetamide
| Molecular Formula | C27H26N4O3S |
|---|---|
| Molecular Weight | 486.17 g/mol |
| LogP | 4.67122 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.17258 |
| Heavy Atoms | 35 |
| Complexity | 1481.5345 |
Chemical Identifiers
| CAS Number | 487035-55-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(N=C4CC(OCC4=C3)(C)C)N=C2SCC(=O)NC5=CC=CC=C5 |
Product Overview
ChemDiv2_004779 (CAS 487035-55-2), with molecular formula C27H26N4O3S and molecular weight 486.17 g/mol. IUPAC: 2-[[13,13-dimethyl-6-(3-methylphenyl)-7-oxo-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-5-yl]sulfanyl]-N-phenylacetamide.
Chemical Property Profile of ChemDiv2_004779
Property Insights of ChemDiv2_004779
The XLogP value of 4.67122 indicates that ChemDiv2_004779 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004779. Following Lipinski's Rule of Five, ChemDiv2_004779 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv2_004779?
The CAS number of ChemDiv2_004779 is 487035-55-2.
What is the molecular formula of ChemDiv2_004779?
The molecular formula of ChemDiv2_004779 is C27H26N4O3S.
What is the molecular weight of ChemDiv2_004779?
The molecular weight of ChemDiv2_004779 is 486.17 g/mol.
Where can I buy ChemDiv2_004779?
You can request a quote for ChemDiv2_004779 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004779?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004779 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.