3R-0672
TL;DR: 3R-0672 (CAS 478040-74-3) is a chemical compound with molecular formula C23H23F3N4O4S and molecular weight 508.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanoyl]-4-(trifluoromethyl)benzohydrazide
Also Known As: 3R-0672, 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-(1H-indol-3-yl)-N'-[4-(trifluoromethyl)benzoyl]propanohydrazide, N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanoyl]-4-(trifluoromethyl)benzohydrazide, N'-[2-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-3-(1H-indol-3-yl)propanoyl]-4-(trifluoromethyl)benzohydrazide, N'-(2-(1,1-Dioxidothiomorpholino)-3-(1H-indol-3-yl)propanoyl)-4-(trifluoromethyl)benzohydrazide
| Molecular Formula | C23H23F3N4O4S |
|---|---|
| Molecular Weight | 508.14 g/mol |
| LogP | 2.2894 |
| Topological Polar Surface Area | 111.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 508.13922 |
| Heavy Atoms | 35 |
| Complexity | 1322.8003 |
Chemical Identifiers
| CAS Number | 478040-74-3 |
|---|---|
| SMILES | C1CS(=O)(=O)CCN1C(CC2=CNC3=CC=CC=C32)C(=O)NNC(=O)C4=CC=C(C=C4)C(F)(F)F |
Product Overview
3R-0672 (CAS 478040-74-3), with molecular formula C23H23F3N4O4S and molecular weight 508.14 g/mol. IUPAC: N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanoyl]-4-(trifluoromethyl)benzohydrazide.
Chemical Property Profile of 3R-0672
Property Insights of 3R-0672
The XLogP value of 2.2894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3R-0672. The TPSA of 111.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 3R-0672. Following Lipinski's Rule of Five, 3R-0672 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3R-0672?
The CAS number of 3R-0672 is 478040-74-3.
What is the molecular formula of 3R-0672?
The molecular formula of 3R-0672 is C23H23F3N4O4S.
What is the molecular weight of 3R-0672?
The molecular weight of 3R-0672 is 508.14 g/mol.
Where can I buy 3R-0672?
You can request a quote for 3R-0672 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3R-0672?
Yes, KEHONG BIO provides custom synthesis services for 3R-0672 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.