ChemDiv2_006299
TL;DR: ChemDiv2_006299 (CAS 689757-54-8) is a chemical compound with molecular formula C28H31N3O5S and molecular weight 521.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5,6-dimethyl-2,4-dioxo-3-(2-phenylethyl)thieno[2,3-d]pyrimidin-1-yl]acetamide
Also Known As: ChemDiv2_006299, IDI1_005014, F6548-1478, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5,6-dimethyl-2,4-dioxo-3-(2-phenylethyl)-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5,6-dimethyl-2,4-dioxo-3-phenethylthieno[2,3-d]pyrimidin-1-yl)acetamide
| Molecular Formula | C28H31N3O5S |
|---|---|
| Molecular Weight | 521.20 g/mol |
| LogP | 3.46034 |
| Topological Polar Surface Area | 91.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 521.1984 |
| Heavy Atoms | 37 |
| Complexity | 1535.6918 |
Chemical Identifiers
| CAS Number | 689757-54-8 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=O)N2CC(=O)NCCC3=CC(=C(C=C3)OC)OC)CCC4=CC=CC=C4)C |
Product Overview
ChemDiv2_006299 (CAS 689757-54-8), with molecular formula C28H31N3O5S and molecular weight 521.20 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5,6-dimethyl-2,4-dioxo-3-(2-phenylethyl)thieno[2,3-d]pyrimidin-1-yl]acetamide.
Chemical Property Profile of ChemDiv2_006299
Property Insights of ChemDiv2_006299
The XLogP value of 3.46034 indicates that ChemDiv2_006299 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.56 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006299. Following Lipinski's Rule of Five, ChemDiv2_006299 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_006299?
The CAS number of ChemDiv2_006299 is 689757-54-8.
What is the molecular formula of ChemDiv2_006299?
The molecular formula of ChemDiv2_006299 is C28H31N3O5S.
What is the molecular weight of ChemDiv2_006299?
The molecular weight of ChemDiv2_006299 is 521.20 g/mol.
Where can I buy ChemDiv2_006299?
You can request a quote for ChemDiv2_006299 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006299?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006299 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.