Picloxydine Digluconate
TL;DR: Picloxydine Digluconate (CAS 29147-50-0) is a chemical compound with molecular formula C20H19N5OS2 and molecular weight 409.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: Picloxydine Digluconate, BAS 01290815, N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((3-(m-tolyl)-1H-1,2,4-triazol-5-yl)thio)acetamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-{[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C20H19N5OS2 |
|---|---|
| Molecular Weight | 409.10 g/mol |
| LogP | 4.3229 |
| Topological Polar Surface Area | 94.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.1031 |
| Heavy Atoms | 28 |
| Complexity | 1062.9783 |
Chemical Identifiers
| CAS Number | 29147-50-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NC(=NN2)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N |
Product Overview
Picloxydine Digluconate (CAS 29147-50-0), with molecular formula C20H19N5OS2 and molecular weight 409.10 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of Picloxydine Digluconate
Property Insights of Picloxydine Digluconate
The XLogP value of 4.3229 indicates that Picloxydine Digluconate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Picloxydine Digluconate. Following Lipinski's Rule of Five, Picloxydine Digluconate has 2 hydrogen bond donor(s) and 6 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 Picloxydine Digluconate?
The CAS number of Picloxydine Digluconate is 29147-50-0.
What is the molecular formula of Picloxydine Digluconate?
The molecular formula of Picloxydine Digluconate is C20H19N5OS2.
What is the molecular weight of Picloxydine Digluconate?
The molecular weight of Picloxydine Digluconate is 409.10 g/mol.
Where can I buy Picloxydine Digluconate?
You can request a quote for Picloxydine Digluconate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Picloxydine Digluconate?
Yes, KEHONG BIO provides custom synthesis services for Picloxydine Digluconate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.