RefChem:825053
TL;DR: RefChem:825053 (CAS 587003-80-3) is a chemical compound with molecular formula C18H16BrF2N3O2S2 and molecular weight 486.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromo-4,6-difluorophenyl)-2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
Also Known As: SALOR-INT L412619-1EA, N-(2-Bromo-4,6-difluorophenyl)-2-((3-ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamide, N-(2-bromo-4,6-difluorophenyl)-2-[(3-ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, 638-148-9, N-(2-Bromo-4,6-difluorophenyl)-2-((3-ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno(2,3-D)pyrimidin-2-YL)sulfanyl)acetamide
| Molecular Formula | C18H16BrF2N3O2S2 |
|---|---|
| Molecular Weight | 486.98 g/mol |
| LogP | 4.86624 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.98355 |
| Heavy Atoms | 28 |
| Complexity | 1121.0367 |
Chemical Identifiers
| CAS Number | 587003-80-3 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=C(C=C3Br)F)F)SC(=C2C)C |
Product Overview
RefChem:825053 (CAS 587003-80-3), with molecular formula C18H16BrF2N3O2S2 and molecular weight 486.98 g/mol. IUPAC: N-(2-bromo-4,6-difluorophenyl)-2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.
Chemical Property Profile of RefChem:825053
Property Insights of RefChem:825053
The XLogP value of 4.86624 indicates that RefChem:825053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:825053. Following Lipinski's Rule of Five, RefChem:825053 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 RefChem:825053?
The CAS number of RefChem:825053 is 587003-80-3.
What is the molecular formula of RefChem:825053?
The molecular formula of RefChem:825053 is C18H16BrF2N3O2S2.
What is the molecular weight of RefChem:825053?
The molecular weight of RefChem:825053 is 486.98 g/mol.
Where can I buy RefChem:825053?
You can request a quote for RefChem:825053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:825053?
Yes, KEHONG BIO provides custom synthesis services for RefChem:825053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.