ChemDiv3_008402
TL;DR: ChemDiv3_008402 (CAS 866015-84-1) is a chemical compound with molecular formula C26H27N3O4S and molecular weight 477.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-[(2,5-dimethylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide
Also Known As: ChemDiv3_008402, IDI1_026312, BRD-K46311060-001-01-7, F1601-0575, 3-{1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[(4-methoxyphenyl)methyl]propanamide
| Molecular Formula | C26H27N3O4S |
|---|---|
| Molecular Weight | 477.17 g/mol |
| LogP | 3.60494 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 477.17224 |
| Heavy Atoms | 34 |
| Complexity | 1447.9202 |
Chemical Identifiers
| CAS Number | 866015-84-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CN2C3=C(C(=O)N(C2=O)CCC(=O)NCC4=CC=C(C=C4)OC)SC=C3 |
Product Overview
ChemDiv3_008402 (CAS 866015-84-1), with molecular formula C26H27N3O4S and molecular weight 477.17 g/mol. IUPAC: 3-[1-[(2,5-dimethylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide.
Chemical Property Profile of ChemDiv3_008402
Property Insights of ChemDiv3_008402
The XLogP value of 3.60494 indicates that ChemDiv3_008402 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.33 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_008402. Following Lipinski's Rule of Five, ChemDiv3_008402 has 1 hydrogen bond donor(s) and 5 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 ChemDiv3_008402?
The CAS number of ChemDiv3_008402 is 866015-84-1.
What is the molecular formula of ChemDiv3_008402?
The molecular formula of ChemDiv3_008402 is C26H27N3O4S.
What is the molecular weight of ChemDiv3_008402?
The molecular weight of ChemDiv3_008402 is 477.17 g/mol.
Where can I buy ChemDiv3_008402?
You can request a quote for ChemDiv3_008402 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_008402?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_008402 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.