A3018/0127210
TL;DR: A3018/0127210 (CAS 489397-51-5) is a chemical compound with molecular formula C18H17ClF3N3O3 and molecular weight 415.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-chlorobenzoyl)amino]-2-[(4,6-dimethyl-2-pyridinyl)amino]-3,3,3-trifluoropropanoate
Also Known As: A3018/0127210, (R)-methyl 2-(4-chlorobenzamido)-2-((4,6-dimethylpyridin-2-yl)amino)-3,3,3-trifluoropropanoate, 2-(4-Chloro-benzoylamino)-2-(4,6-dimethyl-pyridin-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester, Methyl 2-[(4-chlorobenzoyl)amino]-2-[(4,6-dimethyl-2-pyridinyl)amino]-3,3,3-trifluoropropanoate, Methyl 2-[(4-chlorobenzoyl)amino]-2-[(4,6-dimethyl-2-pyridinyl)amino]-3,3,3-trifluoropropanoate #
| Molecular Formula | C18H17ClF3N3O3 |
|---|---|
| Molecular Weight | 415.09 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.09106 |
| Heavy Atoms | 28 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 489397-51-5 |
|---|---|
| SMILES | CC1=CC(=NC(=C1)NC(C(=O)OC)(C(F)(F)F)NC(=O)C2=CC=C(C=C2)Cl)C |
| InChIKey | ODLWQYDLYJBZFJ-UHFFFAOYSA-N |
Product Overview
A3018/0127210 (CAS 489397-51-5), with molecular formula C18H17ClF3N3O3 and molecular weight 415.09 g/mol. IUPAC: methyl 2-[(4-chlorobenzoyl)amino]-2-[(4,6-dimethyl-2-pyridinyl)amino]-3,3,3-trifluoropropanoate.
Chemical Property Profile of A3018/0127210
Property Insights of A3018/0127210
The XLogP value of 5.1 indicates that A3018/0127210 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for A3018/0127210. Following Lipinski's Rule of Five, A3018/0127210 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3018/0127210?
The CAS number of A3018/0127210 is 489397-51-5.
What is the molecular formula of A3018/0127210?
The molecular formula of A3018/0127210 is C18H17ClF3N3O3.
What is the molecular weight of A3018/0127210?
The molecular weight of A3018/0127210 is 415.09 g/mol.
Where can I buy A3018/0127210?
You can request a quote for A3018/0127210 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3018/0127210?
Yes, KEHONG BIO provides custom synthesis services for A3018/0127210 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.