ChemDiv1_028321
TL;DR: ChemDiv1_028321 (CAS 346596-70-1) is a chemical compound with molecular formula C22H23ClN4O2S and molecular weight 442.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione
Also Known As: ChemDiv1_028321, MixCom6_000513, BAS 04848992, A2686/0114500, 5-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C22H23ClN4O2S |
|---|---|
| Molecular Weight | 442.12 g/mol |
| LogP | 4.52009 |
| Topological Polar Surface Area | 44.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.12302 |
| Heavy Atoms | 30 |
| Complexity | 1064.7671 |
Chemical Identifiers
| CAS Number | 346596-70-1 |
|---|---|
| SMILES | C1CN(CCC12OCCO2)CN3C(=S)N(C(=N3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5 |
Product Overview
ChemDiv1_028321 (CAS 346596-70-1), with molecular formula C22H23ClN4O2S and molecular weight 442.12 g/mol. IUPAC: 5-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione.
Chemical Property Profile of ChemDiv1_028321
Property Insights of ChemDiv1_028321
The XLogP value of 4.52009 indicates that ChemDiv1_028321 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.45 Ų, ChemDiv1_028321 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_028321 has 0 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 ChemDiv1_028321?
The CAS number of ChemDiv1_028321 is 346596-70-1.
What is the molecular formula of ChemDiv1_028321?
The molecular formula of ChemDiv1_028321 is C22H23ClN4O2S.
What is the molecular weight of ChemDiv1_028321?
The molecular weight of ChemDiv1_028321 is 442.12 g/mol.
Where can I buy ChemDiv1_028321?
You can request a quote for ChemDiv1_028321 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028321?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028321 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.