12G-904
TL;DR: 12G-904 (CAS 306977-21-9) is a chemical compound with molecular formula C15H15ClF3N5O3 and molecular weight 405.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylimino]-2-cyanopropanoyl]carbamate
Also Known As: 12G-904, ethyl N-{3-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)imino]-2-cyanopropanoyl}carbamate, ethyl N-[3-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethylimino]-2-cyanopropanoyl]carbamate, ethyl N-{2-[(1E)-[(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)imino]methyl]-2-cyanoacetyl}carbamate, ethylN-{2-[(1E)-[(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)imino]methyl]-2-cyanoacetyl}carbamate
| Molecular Formula | C15H15ClF3N5O3 |
|---|---|
| Molecular Weight | 405.08 g/mol |
| LogP | 2.64898 |
| Topological Polar Surface Area | 116.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.08154 |
| Heavy Atoms | 27 |
| Complexity | 749.19354 |
Chemical Identifiers
| CAS Number | 306977-21-9 |
|---|---|
| SMILES | CCOC(=O)NC(=O)C(C=NCCNC1=C(C=C(C=N1)C(F)(F)F)Cl)C#N |
Product Overview
12G-904 (CAS 306977-21-9), with molecular formula C15H15ClF3N5O3 and molecular weight 405.08 g/mol. IUPAC: ethyl N-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylimino]-2-cyanopropanoyl]carbamate.
Chemical Property Profile of 12G-904
Property Insights of 12G-904
The XLogP value of 2.64898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12G-904. The TPSA of 116.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 12G-904. Following Lipinski's Rule of Five, 12G-904 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 12G-904?
The CAS number of 12G-904 is 306977-21-9.
What is the molecular formula of 12G-904?
The molecular formula of 12G-904 is C15H15ClF3N5O3.
What is the molecular weight of 12G-904?
The molecular weight of 12G-904 is 405.08 g/mol.
Where can I buy 12G-904?
You can request a quote for 12G-904 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12G-904?
Yes, KEHONG BIO provides custom synthesis services for 12G-904 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.