J-111225
TL;DR: J-111225 (CAS 232284-57-0) is a chemical compound with molecular formula C22H29N3O4S and molecular weight 431.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[(3S,5R)-5-[4-(methylaminomethyl)phenyl]pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Also Known As: J-111225, j-111,225, J1.209.322E, (+)-J-111225, J 111225
| Molecular Formula | C22H29N3O4S |
|---|---|
| Molecular Weight | 431.19 g/mol |
| LogP | 1.6959 |
| Topological Polar Surface Area | 101.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 431.18787 |
| Heavy Atoms | 30 |
| Complexity | 869.63855 |
Chemical Identifiers
| CAS Number | 232284-57-0 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@@H](NC3)C4=CC=C(C=C4)CNC)C(=O)O)[C@@H](C)O |
Product Overview
J-111225 (CAS 232284-57-0), with molecular formula C22H29N3O4S and molecular weight 431.19 g/mol. IUPAC: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[(3S,5R)-5-[4-(methylaminomethyl)phenyl]pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
Chemical Property Profile of J-111225
Property Insights of J-111225
The XLogP value of 1.6959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J-111225. The TPSA of 101.9 Ų falls within the moderate polarity range, balancing permeability and solubility for J-111225. Following Lipinski's Rule of Five, J-111225 has 4 hydrogen bond donor(s) and 6 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 J-111225?
The CAS number of J-111225 is 232284-57-0.
What is the molecular formula of J-111225?
The molecular formula of J-111225 is C22H29N3O4S.
What is the molecular weight of J-111225?
The molecular weight of J-111225 is 431.19 g/mol.
Where can I buy J-111225?
You can request a quote for J-111225 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J-111225?
Yes, KEHONG BIO provides custom synthesis services for J-111225 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.