A2686/0114503
TL;DR: A2686/0114503 (CAS 346596-83-6) is a chemical compound with molecular formula C23H25ClN4O2S and molecular weight 456.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-5-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-1,2,4-triazole-3-thione
Also Known As: A2686/0114503, 4-benzyl-5-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-benzyl-5-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-1,2,4-triazole-3-thione, 1-[(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)methyl]-3-(4-chlorophenyl)-4-benzyl-1,2, 4-triazoline-5-thione, 4-benzyl-3-(4-chlorophenyl)-1-({1,4-dioxa-8-azaspiro[4.5]decan-8-yl}methyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
| Molecular Formula | C23H25ClN4O2S |
|---|---|
| Molecular Weight | 456.14 g/mol |
| LogP | 4.57919 |
| Topological Polar Surface Area | 44.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.13867 |
| Heavy Atoms | 31 |
| Complexity | 1081.0143 |
Chemical Identifiers
| CAS Number | 346596-83-6 |
|---|---|
| SMILES | C1CN(CCC12OCCO2)CN3C(=S)N(C(=N3)C4=CC=C(C=C4)Cl)CC5=CC=CC=C5 |
Product Overview
A2686/0114503 (CAS 346596-83-6), with molecular formula C23H25ClN4O2S and molecular weight 456.14 g/mol. IUPAC: 4-benzyl-5-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-1,2,4-triazole-3-thione.
Chemical Property Profile of A2686/0114503
Property Insights of A2686/0114503
The XLogP value of 4.57919 indicates that A2686/0114503 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.45 Ų, A2686/0114503 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2686/0114503 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 A2686/0114503?
The CAS number of A2686/0114503 is 346596-83-6.
What is the molecular formula of A2686/0114503?
The molecular formula of A2686/0114503 is C23H25ClN4O2S.
What is the molecular weight of A2686/0114503?
The molecular weight of A2686/0114503 is 456.14 g/mol.
Where can I buy A2686/0114503?
You can request a quote for A2686/0114503 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2686/0114503?
Yes, KEHONG BIO provides custom synthesis services for A2686/0114503 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.