6N-513S
TL;DR: 6N-513S (CAS 866049-18-5) is a chemical compound with molecular formula C25H23NO4S and molecular weight 433.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]methylsulfanyl]benzoate
Also Known As: 6N-513S, methyl 2-({[1-(4-methoxyphenyl)-2-oxo-4-phenyl-3-azetanyl]methyl}sulfanyl)benzenecarboxylate, methyl 2-({[1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]methyl}sulfanyl)benzoate, methyl 2-[[1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]methylsulfanyl]benzoate, methyl2-({[1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]methyl}sulfanyl)benzoate
| Molecular Formula | C25H23NO4S |
|---|---|
| Molecular Weight | 433.13 g/mol |
| LogP | 4.9782 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 433.13477 |
| Heavy Atoms | 31 |
| Complexity | 1068.3948 |
Chemical Identifiers
| CAS Number | 866049-18-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(C(C2=O)CSC3=CC=CC=C3C(=O)OC)C4=CC=CC=C4 |
Product Overview
6N-513S (CAS 866049-18-5), with molecular formula C25H23NO4S and molecular weight 433.13 g/mol. IUPAC: methyl 2-[[1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]methylsulfanyl]benzoate.
Chemical Property Profile of 6N-513S
Property Insights of 6N-513S
The XLogP value of 4.9782 indicates that 6N-513S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, 6N-513S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6N-513S has 0 hydrogen bond donor(s) and 5 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 6N-513S?
The CAS number of 6N-513S is 866049-18-5.
What is the molecular formula of 6N-513S?
The molecular formula of 6N-513S is C25H23NO4S.
What is the molecular weight of 6N-513S?
The molecular weight of 6N-513S is 433.13 g/mol.
Where can I buy 6N-513S?
You can request a quote for 6N-513S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6N-513S?
Yes, KEHONG BIO provides custom synthesis services for 6N-513S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.