9N-361S
TL;DR: 9N-361S (CAS 478247-02-8) is a chemical compound with molecular formula C24H22N2O3S and molecular weight 418.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-(2-benzhydrylidenehydrazinyl)-1-oxopropan-2-yl]sulfanylbenzoate
Also Known As: 9N-361S, methyl 2-({2-[2-(diphenylmethylene)hydrazino]-1-methyl-2-oxoethyl}sulfanyl)benzenecarboxylate, methyl 2-[1-(2-benzhydrylidenehydrazinyl)-1-oxopropan-2-yl]sulfanylbenzoate, Methyl 2-[1-[(benzhydrylideneamino)carbamoyl]ethylsulfanyl]benzoate, methyl 2-({1-[N'-(diphenylmethylidene)hydrazinecarbonyl]ethyl}sulfanyl)benzoate
| Molecular Formula | C24H22N2O3S |
|---|---|
| Molecular Weight | 418.14 g/mol |
| LogP | 4.5226 |
| Topological Polar Surface Area | 67.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.1351 |
| Heavy Atoms | 30 |
| Complexity | 995.0863 |
Chemical Identifiers
| CAS Number | 478247-02-8 |
|---|---|
| SMILES | CC(C(=O)NN=C(C1=CC=CC=C1)C2=CC=CC=C2)SC3=CC=CC=C3C(=O)OC |
Product Overview
9N-361S (CAS 478247-02-8), with molecular formula C24H22N2O3S and molecular weight 418.14 g/mol. IUPAC: methyl 2-[1-(2-benzhydrylidenehydrazinyl)-1-oxopropan-2-yl]sulfanylbenzoate.
Chemical Property Profile of 9N-361S
Property Insights of 9N-361S
The XLogP value of 4.5226 indicates that 9N-361S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 9N-361S. Following Lipinski's Rule of Five, 9N-361S has 1 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 9N-361S?
The CAS number of 9N-361S is 478247-02-8.
What is the molecular formula of 9N-361S?
The molecular formula of 9N-361S is C24H22N2O3S.
What is the molecular weight of 9N-361S?
The molecular weight of 9N-361S is 418.14 g/mol.
Where can I buy 9N-361S?
You can request a quote for 9N-361S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9N-361S?
Yes, KEHONG BIO provides custom synthesis services for 9N-361S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.