4-Azidophenacetylthiocarnitine
TL;DR: 4-Azidophenacetylthiocarnitine (CAS 104061-09-8) is a chemical compound with molecular formula C15H20N4O3S and molecular weight 336.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-azidophenyl)-2-oxoethyl]sulfanyl-4-(trimethylazaniumyl)butanoate
Also Known As: Pap-TC, 4-Azidophenacetylthiocarnitine, 3-[2-(4-azidophenyl)-2-oxoethyl]sulfanyl-4-(trimethylazaniumyl)butanoate, 3-{[2-(4-Azidophenyl)-2-oxoethyl]sulfanyl}-4-(trimethylazaniumyl)butanoate, RefChem:97932
| Molecular Formula | C15H20N4O3S |
|---|---|
| Molecular Weight | 336.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 96.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 336.1256 |
| Heavy Atoms | 23 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 104061-09-8 |
|---|---|
| SMILES | C[N+](C)(C)CC(CC(=O)[O-])SCC(=O)C1=CC=C(C=C1)N=[N+]=[N-] |
| InChIKey | DTJOXIFZJQVZPU-UHFFFAOYSA-N |
Product Overview
4-Azidophenacetylthiocarnitine (CAS 104061-09-8), with molecular formula C15H20N4O3S and molecular weight 336.13 g/mol. IUPAC: 3-[2-(4-azidophenyl)-2-oxoethyl]sulfanyl-4-(trimethylazaniumyl)butanoate.
Chemical Property Profile of 4-Azidophenacetylthiocarnitine
Property Insights of 4-Azidophenacetylthiocarnitine
The XLogP value of 3.5 indicates that 4-Azidophenacetylthiocarnitine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Azidophenacetylthiocarnitine. Following Lipinski's Rule of Five, 4-Azidophenacetylthiocarnitine has 0 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 4-Azidophenacetylthiocarnitine?
The CAS number of 4-Azidophenacetylthiocarnitine is 104061-09-8.
What is the molecular formula of 4-Azidophenacetylthiocarnitine?
The molecular formula of 4-Azidophenacetylthiocarnitine is C15H20N4O3S.
What is the molecular weight of 4-Azidophenacetylthiocarnitine?
The molecular weight of 4-Azidophenacetylthiocarnitine is 336.13 g/mol.
Where can I buy 4-Azidophenacetylthiocarnitine?
You can request a quote for 4-Azidophenacetylthiocarnitine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Azidophenacetylthiocarnitine?
Yes, KEHONG BIO provides custom synthesis services for 4-Azidophenacetylthiocarnitine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.