12G-901
TL;DR: 12G-901 (CAS 306977-20-8) is a chemical compound with molecular formula C17H16Cl2F3N5O3 and molecular weight 465.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)carbamoylamino]oxy-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
Also Known As: 12G-901, 2-({[(4-chloroanilino)carbonyl]amino}oxy)-N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)acetamide, 2-[(4-chlorophenyl)carbamoylamino]oxy-N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]acetamide, N-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-2-({[(4-chlorophenyl)carbamoyl]amino}oxy)acetamide
| Molecular Formula | C17H16Cl2F3N5O3 |
|---|---|
| Molecular Weight | 465.06 g/mol |
| LogP | 3.6886 |
| Topological Polar Surface Area | 104.38 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 465.05823 |
| Heavy Atoms | 30 |
| Complexity | 881.93274 |
Chemical Identifiers
| CAS Number | 306977-20-8 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)NOCC(=O)NCCNC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl |
Product Overview
12G-901 (CAS 306977-20-8), with molecular formula C17H16Cl2F3N5O3 and molecular weight 465.06 g/mol. IUPAC: 2-[(4-chlorophenyl)carbamoylamino]oxy-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide.
Chemical Property Profile of 12G-901
Property Insights of 12G-901
The XLogP value of 3.6886 indicates that 12G-901 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 12G-901. Following Lipinski's Rule of Five, 12G-901 has 4 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 12G-901?
The CAS number of 12G-901 is 306977-20-8.
What is the molecular formula of 12G-901?
The molecular formula of 12G-901 is C17H16Cl2F3N5O3.
What is the molecular weight of 12G-901?
The molecular weight of 12G-901 is 465.06 g/mol.
Where can I buy 12G-901?
You can request a quote for 12G-901 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12G-901?
Yes, KEHONG BIO provides custom synthesis services for 12G-901 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.