1M-912
TL;DR: 1M-912 (CAS 338392-15-7) is a chemical compound with molecular formula C22H17ClF3N3O4 and molecular weight 479.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]-2-pyridinyl]acetate
Also Known As: 1M-912, Ethyl 2-[3-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]carbamoyl]pyridin-2-yl]acetate, ethyl 2-{3-[(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)carbonyl]-2-pyridinyl}acetate, ethyl 2-{3-[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)carbamoyl]pyridin-2-yl}acetate, Ethyl {3-[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)carbamoyl]pyridin-2-yl}acetate
| Molecular Formula | C22H17ClF3N3O4 |
|---|---|
| Molecular Weight | 479.09 g/mol |
| LogP | 5.299 |
| Topological Polar Surface Area | 90.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 479.08597 |
| Heavy Atoms | 33 |
| Complexity | 1154.3682 |
Chemical Identifiers
| CAS Number | 338392-15-7 |
|---|---|
| SMILES | CCOC(=O)CC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)OC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
1M-912 (CAS 338392-15-7), with molecular formula C22H17ClF3N3O4 and molecular weight 479.09 g/mol. IUPAC: ethyl 2-[3-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]-2-pyridinyl]acetate.
Chemical Property Profile of 1M-912
Property Insights of 1M-912
The XLogP value of 5.299 indicates that 1M-912 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 1M-912. Following Lipinski's Rule of Five, 1M-912 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1M-912?
The CAS number of 1M-912 is 338392-15-7.
What is the molecular formula of 1M-912?
The molecular formula of 1M-912 is C22H17ClF3N3O4.
What is the molecular weight of 1M-912?
The molecular weight of 1M-912 is 479.09 g/mol.
Where can I buy 1M-912?
You can request a quote for 1M-912 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1M-912?
Yes, KEHONG BIO provides custom synthesis services for 1M-912 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.