ChemDiv1_026034
TL;DR: ChemDiv1_026034 (CAS 309267-23-0) is a chemical compound with molecular formula C34H31ClN4O2S and molecular weight 594.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4'-(4-tert-butylphenyl)-4-(4-chlorophenyl)-2'-phenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-carboxylate
Also Known As: ChemDiv1_026034, A2060/0086654, ethyl 4'-(4-tert-butylphenyl)-4-(4-chlorophenyl)-2'-phenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-carboxylate, ethyl 4-(4-tert-butylphenyl)-3'-(4-chlorophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate, ethyl 4-(4-(tert-butyl)phenyl)-3'-(4-chlorophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
| Molecular Formula | C34H31ClN4O2S |
|---|---|
| Molecular Weight | 594.19 g/mol |
| LogP | 8.1504 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 594.1856 |
| Heavy Atoms | 42 |
| Complexity | 1681.6449 |
Chemical Identifiers
| CAS Number | 309267-23-0 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C2(S1)C3=CC=CC=C3C(=NN2C4=CC=CC=C4)C5=CC=C(C=C5)C(C)(C)C)C6=CC=C(C=C6)Cl |
Product Overview
ChemDiv1_026034 (CAS 309267-23-0), with molecular formula C34H31ClN4O2S and molecular weight 594.19 g/mol. IUPAC: ethyl 4'-(4-tert-butylphenyl)-4-(4-chlorophenyl)-2'-phenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-carboxylate.
Chemical Property Profile of ChemDiv1_026034
Property Insights of ChemDiv1_026034
The XLogP value of 8.1504 indicates that ChemDiv1_026034 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, ChemDiv1_026034 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_026034 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_026034?
The CAS number of ChemDiv1_026034 is 309267-23-0.
What is the molecular formula of ChemDiv1_026034?
The molecular formula of ChemDiv1_026034 is C34H31ClN4O2S.
What is the molecular weight of ChemDiv1_026034?
The molecular weight of ChemDiv1_026034 is 594.19 g/mol.
Where can I buy ChemDiv1_026034?
You can request a quote for ChemDiv1_026034 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_026034?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_026034 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.