ChemDiv3_012723
TL;DR: ChemDiv3_012723 (CAS 865655-28-3) is a chemical compound with molecular formula C18H16BrN3O4S2 and molecular weight 480.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
Also Known As: ChemDiv3_012723, BRD-K26023983-001-01-6, ethyl 3-amino-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate, F1601-0045, ethyl 3-amino-2-((2-(4-bromophenyl)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
| Molecular Formula | C18H16BrN3O4S2 |
|---|---|
| Molecular Weight | 480.98 g/mol |
| LogP | 3.39442 |
| Topological Polar Surface Area | 104.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.97656 |
| Heavy Atoms | 28 |
| Complexity | 1122.5465 |
Chemical Identifiers
| CAS Number | 865655-28-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)N)SCC(=O)C3=CC=C(C=C3)Br)C |
Product Overview
ChemDiv3_012723 (CAS 865655-28-3), with molecular formula C18H16BrN3O4S2 and molecular weight 480.98 g/mol. IUPAC: ethyl 3-amino-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate.
Chemical Property Profile of ChemDiv3_012723
Property Insights of ChemDiv3_012723
The XLogP value of 3.39442 indicates that ChemDiv3_012723 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.28 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012723. Following Lipinski's Rule of Five, ChemDiv3_012723 has 1 hydrogen bond donor(s) and 8 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_012723?
The CAS number of ChemDiv3_012723 is 865655-28-3.
What is the molecular formula of ChemDiv3_012723?
The molecular formula of ChemDiv3_012723 is C18H16BrN3O4S2.
What is the molecular weight of ChemDiv3_012723?
The molecular weight of ChemDiv3_012723 is 480.98 g/mol.
Where can I buy ChemDiv3_012723?
You can request a quote for ChemDiv3_012723 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012723?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012723 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.