2H-039
TL;DR: 2H-039 (CAS 338397-69-6) is a chemical compound with molecular formula C15H15ClF3N3O2 and molecular weight 361.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxypropyl)pyrrole-2-carboxamide
Also Known As: 2H-039, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxypropyl)-1H-pyrrole-2-carboxamide, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3-methoxypropyl)pyrrole-2-carboxamide, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3-methoxypropyl)-1H-pyrrole-2-carboxamide
| Molecular Formula | C15H15ClF3N3O2 |
|---|---|
| Molecular Weight | 361.08 g/mol |
| LogP | 3.3108 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.08047 |
| Heavy Atoms | 24 |
| Complexity | 716.2301 |
Chemical Identifiers
| CAS Number | 338397-69-6 |
|---|---|
| SMILES | COCCCNC(=O)C1=CC=CN1C2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
2H-039 (CAS 338397-69-6), with molecular formula C15H15ClF3N3O2 and molecular weight 361.08 g/mol. IUPAC: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxypropyl)pyrrole-2-carboxamide.
Chemical Property Profile of 2H-039
Property Insights of 2H-039
The XLogP value of 3.3108 indicates that 2H-039 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.15 Ų, 2H-039 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-039 has 1 hydrogen bond donor(s) and 3 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 2H-039?
The CAS number of 2H-039 is 338397-69-6.
What is the molecular formula of 2H-039?
The molecular formula of 2H-039 is C15H15ClF3N3O2.
What is the molecular weight of 2H-039?
The molecular weight of 2H-039 is 361.08 g/mol.
Where can I buy 2H-039?
You can request a quote for 2H-039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-039?
Yes, KEHONG BIO provides custom synthesis services for 2H-039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.