ChemDiv1_012603
TL;DR: ChemDiv1_012603 (CAS 362501-40-4) is a chemical compound with molecular formula C18H16BrN5O2S4 and molecular weight 540.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-bromophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
Also Known As: ChemDiv1_012603, 2-((3-(4-bromophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)acetamide, F0513-0136, 2-[[3-(4-bromophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide, 2-{[3-(4-bromophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
| Molecular Formula | C18H16BrN5O2S4 |
|---|---|
| Molecular Weight | 540.94 g/mol |
| LogP | 4.3375 |
| Topological Polar Surface Area | 89.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 540.937 |
| Heavy Atoms | 30 |
| Complexity | 1132.5957 |
Chemical Identifiers
| CAS Number | 362501-40-4 |
|---|---|
| SMILES | CCSC1=NN=C(S1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)Br)SCC3 |
Product Overview
ChemDiv1_012603 (CAS 362501-40-4), with molecular formula C18H16BrN5O2S4 and molecular weight 540.94 g/mol. IUPAC: 2-[[3-(4-bromophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.
Chemical Property Profile of ChemDiv1_012603
Property Insights of ChemDiv1_012603
The XLogP value of 4.3375 indicates that ChemDiv1_012603 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.77 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012603. Following Lipinski's Rule of Five, ChemDiv1_012603 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_012603?
The CAS number of ChemDiv1_012603 is 362501-40-4.
What is the molecular formula of ChemDiv1_012603?
The molecular formula of ChemDiv1_012603 is C18H16BrN5O2S4.
What is the molecular weight of ChemDiv1_012603?
The molecular weight of ChemDiv1_012603 is 540.94 g/mol.
Where can I buy ChemDiv1_012603?
You can request a quote for ChemDiv1_012603 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012603?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012603 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.