2-oxo-2-(10H-phenothiazin-10-yl)ethyl N-(phenylcarbonyl)valinate
TL;DR: 2-oxo-2-(10H-phenothiazin-10-yl)ethyl N-(phenylcarbonyl)valinate (CAS 1396973-00-4) is a chemical compound with molecular formula C26H24N2O4S and molecular weight 460.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxo-2-phenothiazin-10-ylethyl) 2-benzamido-3-methylbutanoate
Also Known As: 2-oxo-2-(10H-phenothiazin-10-yl)ethyl N-(phenylcarbonyl)valinate, A1932/0081316, (2-oxo-2-phenothiazin-10-ylethyl) 2-benzamido-3-methylbutanoate, 2-oxo-2-(10H-phenothiazin-10-yl)ethyl 2-(benzoylamino)-3-methylbutanoate, 2-oxo-2-(10H-phenothiazin-10-yl)ethyl 2-benzamido-3-methylbutanoate
| Molecular Formula | C26H24N2O4S |
|---|---|
| Molecular Weight | 460.15 g/mol |
| LogP | 4.8137 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.1457 |
| Heavy Atoms | 33 |
| Complexity | 1134.1741 |
Chemical Identifiers
| CAS Number | 1396973-00-4 |
|---|---|
| SMILES | CC(C)C(C(=O)OCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)NC(=O)C4=CC=CC=C4 |
Product Overview
2-oxo-2-(10H-phenothiazin-10-yl)ethyl N-(phenylcarbonyl)valinate (CAS 1396973-00-4), with molecular formula C26H24N2O4S and molecular weight 460.15 g/mol. IUPAC: (2-oxo-2-phenothiazin-10-ylethyl) 2-benzamido-3-methylbutanoate.
Chemical Property Profile of 2-oxo-2-(10H-phenothiazin-10-yl)ethyl N-(phenylcarbonyl)valinate
Property Insights of 2-oxo-2-(10H-phenothiazin-10-yl)ethyl N-(phenylcarbonyl)valinate
The XLogP value of 4.8137 indicates that 2-oxo-2-(10H-phenothiazin-10-yl)ethyl N-(phenylcarbonyl)valinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-oxo-2-(10H-phenothiazin-10-yl)ethyl N-(phenylcarbonyl)valinate. Following Lipinski's Rule of Five, 2-oxo-2-(10H-phenothiazin-10-yl)ethyl N-(phenylcarbonyl)valinate has 1 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 2-oxo-2-(10H-phenothiazin-10-yl)ethyl N-(phenylcarbonyl)valinate?
The CAS number of 2-oxo-2-(10H-phenothiazin-10-yl)ethyl N-(phenylcarbonyl)valinate is 1396973-00-4.
What is the molecular formula of 2-oxo-2-(10H-phenothiazin-10-yl)ethyl N-(phenylcarbonyl)valinate?
The molecular formula of 2-oxo-2-(10H-phenothiazin-10-yl)ethyl N-(phenylcarbonyl)valinate is C26H24N2O4S.
What is the molecular weight of 2-oxo-2-(10H-phenothiazin-10-yl)ethyl N-(phenylcarbonyl)valinate?
The molecular weight of 2-oxo-2-(10H-phenothiazin-10-yl)ethyl N-(phenylcarbonyl)valinate is 460.15 g/mol.
Where can I buy 2-oxo-2-(10H-phenothiazin-10-yl)ethyl N-(phenylcarbonyl)valinate?
You can request a quote for 2-oxo-2-(10H-phenothiazin-10-yl)ethyl N-(phenylcarbonyl)valinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-oxo-2-(10H-phenothiazin-10-yl)ethyl N-(phenylcarbonyl)valinate?
Yes, KEHONG BIO provides custom synthesis services for 2-oxo-2-(10H-phenothiazin-10-yl)ethyl N-(phenylcarbonyl)valinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.