10P-004
TL;DR: 10P-004 (CAS 1078611-34-3) is a chemical compound with molecular formula C18H21F3N2O6S and molecular weight 450.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]-1-ethoxy-1-oxopropan-2-yl]azanium;2,2,2-trifluoroacetate
Also Known As: 10P-004, 3-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]sulfanyl}-1-ethoxy-1-oxo-2-propanaminium 2,2,2-trifluoroacetate, [3-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]-1-ethoxy-1-oxopropan-2-yl]azanium; 2,2,2-trifluoroacetate, 3-{[3-(1,3-dioxoisoindol-2-yl)propyl]sulfanyl}-1-ethoxy-1-oxopropan-2-aminium trifluoroacetate, ethyl 2-amino-3-{[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propyl]sulfanyl}propanoate; trifluoroacetic acid
| Molecular Formula | C18H21F3N2O6S |
|---|---|
| Molecular Weight | 450.11 g/mol |
| LogP | -0.1219 |
| Topological Polar Surface Area | 131.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 450.10724 |
| Heavy Atoms | 30 |
| Complexity | 752.43036 |
Chemical Identifiers
| CAS Number | 1078611-34-3 |
|---|---|
| SMILES | CCOC(=O)C(CSCCCN1C(=O)C2=CC=CC=C2C1=O)[NH3+].C(=O)(C(F)(F)F)[O-] |
Product Overview
10P-004 (CAS 1078611-34-3), with molecular formula C18H21F3N2O6S and molecular weight 450.11 g/mol. IUPAC: [3-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]-1-ethoxy-1-oxopropan-2-yl]azanium;2,2,2-trifluoroacetate.
Chemical Property Profile of 10P-004
Property Insights of 10P-004
The XLogP value of -0.1219 indicates that 10P-004 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 131.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 10P-004. Following Lipinski's Rule of Five, 10P-004 has 1 hydrogen bond donor(s) and 7 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 10P-004?
The CAS number of 10P-004 is 1078611-34-3.
What is the molecular formula of 10P-004?
The molecular formula of 10P-004 is C18H21F3N2O6S.
What is the molecular weight of 10P-004?
The molecular weight of 10P-004 is 450.11 g/mol.
Where can I buy 10P-004?
You can request a quote for 10P-004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10P-004?
Yes, KEHONG BIO provides custom synthesis services for 10P-004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.