5N-045
TL;DR: 5N-045 (CAS 338963-08-9) is a chemical compound with molecular formula C27H25Cl2F3N4O2 and molecular weight 564.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-N-(4-chlorophenyl)-8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide
Also Known As: 5N-045, 3-benzyl-N-(4-chlorophenyl)-8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide, 3-benzyl-8-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(4-chlorophenyl)-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide, 3-Benzyl-N-(4-chlorophenyl)-8-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide, 2-benzyl-N-(4-chlorophenyl)-8-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-oxa-1,8-diazaspiro[4.5]decane-1-carboxamide
| Molecular Formula | C27H25Cl2F3N4O2 |
|---|---|
| Molecular Weight | 564.13 g/mol |
| LogP | 6.8793 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 564.1307 |
| Heavy Atoms | 38 |
| Complexity | 1283.7302 |
Chemical Identifiers
| CAS Number | 338963-08-9 |
|---|---|
| SMILES | C1CN(CCC12N(C(CO2)CC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Cl)C5=C(C=C(C=N5)C(F)(F)F)Cl |
Product Overview
5N-045 (CAS 338963-08-9), with molecular formula C27H25Cl2F3N4O2 and molecular weight 564.13 g/mol. IUPAC: 3-benzyl-N-(4-chlorophenyl)-8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide.
Chemical Property Profile of 5N-045
Property Insights of 5N-045
The XLogP value of 6.8793 indicates that 5N-045 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, 5N-045 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5N-045 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5N-045?
The CAS number of 5N-045 is 338963-08-9.
What is the molecular formula of 5N-045?
The molecular formula of 5N-045 is C27H25Cl2F3N4O2.
What is the molecular weight of 5N-045?
The molecular weight of 5N-045 is 564.13 g/mol.
Where can I buy 5N-045?
You can request a quote for 5N-045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5N-045?
Yes, KEHONG BIO provides custom synthesis services for 5N-045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.