ChemDiv1_014729
TL;DR: ChemDiv1_014729 (CAS 450346-73-3) is a chemical compound with molecular formula C22H21N5O3S3 and molecular weight 499.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one
Also Known As: ChemDiv1_014729, F0544-0053, 2-((2-(5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-6,7-dihydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one, 2-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-5H,6H,7H,8H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one, 2-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one
| Molecular Formula | C22H21N5O3S3 |
|---|---|
| Molecular Weight | 499.08 g/mol |
| LogP | 4.1638 |
| Topological Polar Surface Area | 86.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 499.08066 |
| Heavy Atoms | 33 |
| Complexity | 1144.536 |
Chemical Identifiers
| CAS Number | 450346-73-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN4CCCC(=O)N=C4S3)C5=CC=CS5 |
Product Overview
ChemDiv1_014729 (CAS 450346-73-3), with molecular formula C22H21N5O3S3 and molecular weight 499.08 g/mol. IUPAC: 2-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one.
Chemical Property Profile of ChemDiv1_014729
Property Insights of ChemDiv1_014729
The XLogP value of 4.1638 indicates that ChemDiv1_014729 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.93 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014729. Following Lipinski's Rule of Five, ChemDiv1_014729 has 0 hydrogen bond donor(s) and 9 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 ChemDiv1_014729?
The CAS number of ChemDiv1_014729 is 450346-73-3.
What is the molecular formula of ChemDiv1_014729?
The molecular formula of ChemDiv1_014729 is C22H21N5O3S3.
What is the molecular weight of ChemDiv1_014729?
The molecular weight of ChemDiv1_014729 is 499.08 g/mol.
Where can I buy ChemDiv1_014729?
You can request a quote for ChemDiv1_014729 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014729?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014729 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.