ChemDiv3_014161
TL;DR: ChemDiv3_014161 (CAS 892224-87-2) is a chemical compound with molecular formula C22H21N5OS3 and molecular weight 467.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
Also Known As: ChemDiv3_014161, IDI1_029959, F3394-1449, 2-({11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-yl}sulfanyl)-N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide, N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
| Molecular Formula | C22H21N5OS3 |
|---|---|
| Molecular Weight | 467.09 g/mol |
| LogP | 5.37382 |
| Topological Polar Surface Area | 80.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.09082 |
| Heavy Atoms | 31 |
| Complexity | 1265.2604 |
Chemical Identifiers
| CAS Number | 892224-87-2 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)NC4=NSC(=N4)C5=CC=CC=C5C |
Product Overview
ChemDiv3_014161 (CAS 892224-87-2), with molecular formula C22H21N5OS3 and molecular weight 467.09 g/mol. IUPAC: N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide.
Chemical Property Profile of ChemDiv3_014161
Property Insights of ChemDiv3_014161
The XLogP value of 5.37382 indicates that ChemDiv3_014161 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_014161. Following Lipinski's Rule of Five, ChemDiv3_014161 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_014161?
The CAS number of ChemDiv3_014161 is 892224-87-2.
What is the molecular formula of ChemDiv3_014161?
The molecular formula of ChemDiv3_014161 is C22H21N5OS3.
What is the molecular weight of ChemDiv3_014161?
The molecular weight of ChemDiv3_014161 is 467.09 g/mol.
Where can I buy ChemDiv3_014161?
You can request a quote for ChemDiv3_014161 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_014161?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_014161 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.