5N-539S
TL;DR: 5N-539S (CAS 866038-80-4) is a chemical compound with molecular formula C27H29NO2S and molecular weight 431.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-tert-butylphenyl)sulfanylmethyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
Also Known As: 5N-539S, 3-({[4-(tert-butyl)phenyl]sulfanyl}methyl)-1-(4-methoxyphenyl)-4-phenyl-2-azetanone, 3-[(4-tert-butylphenyl)sulfanylmethyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one, 3-{[(4-tert-butylphenyl)sulfanyl]methyl}-1-(4-methoxyphenyl)-4-phenylazetidin-2-one, 1-(4-methoxyphenyl)-4-phenyl-3-[(4-tert-butylphenyl)sulfanylmethyl]azetidin-2-one
| Molecular Formula | C27H29NO2S |
|---|---|
| Molecular Weight | 431.19 g/mol |
| LogP | 6.4891 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.1919 |
| Heavy Atoms | 31 |
| Complexity | 1023.5865 |
Chemical Identifiers
| CAS Number | 866038-80-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)SCC2C(N(C2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4 |
Product Overview
5N-539S (CAS 866038-80-4), with molecular formula C27H29NO2S and molecular weight 431.19 g/mol. IUPAC: 3-[(4-tert-butylphenyl)sulfanylmethyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one.
Chemical Property Profile of 5N-539S
Property Insights of 5N-539S
The XLogP value of 6.4891 indicates that 5N-539S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 5N-539S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5N-539S has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5N-539S?
The CAS number of 5N-539S is 866038-80-4.
What is the molecular formula of 5N-539S?
The molecular formula of 5N-539S is C27H29NO2S.
What is the molecular weight of 5N-539S?
The molecular weight of 5N-539S is 431.19 g/mol.
Where can I buy 5N-539S?
You can request a quote for 5N-539S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5N-539S?
Yes, KEHONG BIO provides custom synthesis services for 5N-539S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.