10H-957
TL;DR: 10H-957 (CAS 337920-38-4) is a chemical compound with molecular formula C16H19ClF3N3O4 and molecular weight 409.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]methylidene]propanedioate
Also Known As: 10H-957, diethyl 2-{[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)amino]methylene}malonate, diethyl 2-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethylamino]methylidene]propanedioate, 1,3-diethyl 2-{[(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]methylidene}propanedioate, 1,3-diethyl2-{[(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]methylidene}propanedioate
| Molecular Formula | C16H19ClF3N3O4 |
|---|---|
| Molecular Weight | 409.10 g/mol |
| LogP | 2.7654 |
| Topological Polar Surface Area | 89.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 409.10162 |
| Heavy Atoms | 27 |
| Complexity | 675.97833 |
Chemical Identifiers
| CAS Number | 337920-38-4 |
|---|---|
| SMILES | CCOC(=O)C(=CNCCNC1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)OCC |
Product Overview
10H-957 (CAS 337920-38-4), with molecular formula C16H19ClF3N3O4 and molecular weight 409.10 g/mol. IUPAC: diethyl 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]methylidene]propanedioate.
Chemical Property Profile of 10H-957
Property Insights of 10H-957
The XLogP value of 2.7654 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10H-957. The TPSA of 89.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 10H-957. Following Lipinski's Rule of Five, 10H-957 has 2 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 10H-957?
The CAS number of 10H-957 is 337920-38-4.
What is the molecular formula of 10H-957?
The molecular formula of 10H-957 is C16H19ClF3N3O4.
What is the molecular weight of 10H-957?
The molecular weight of 10H-957 is 409.10 g/mol.
Where can I buy 10H-957?
You can request a quote for 10H-957 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10H-957?
Yes, KEHONG BIO provides custom synthesis services for 10H-957 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.