LN-1-255 free acid
TL;DR: LN-1-255 free acid (CAS 748756-08-3) is a chemical compound with molecular formula C22H20N2O9S and molecular weight 488.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,5R,6Z)-3-[[2-(3,4-dihydroxyphenyl)acetyl]oxymethyl]-3-methyl-4,4,7-trioxo-6-(pyridin-2-ylmethylidene)-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: LN-1-255 free acid, (2S,3R,5R,6Z)-3-(((2-(3,4-Dihydroxyphenyl)acetyl)oxy)methyl)-3-methyl-4,4,7-trioxo-6-((pyridin-2-yl)methylidene)-4lambda6-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-((((3,4-dihydroxyphenyl)acetyl)oxy)methyl)-3-methyl-7-oxo-6-(2-pyridinylmethylene)-, 4,4-dioxide, (2S,3R,5R,6Z)-, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-(((2-(3,4-dihydroxyphenyl)acetyl)oxy)methyl)-3-methyl-7-oxo-6-(2-pyridinylmethylene)-, 4,4-dioxide, (2S,3R,5R,6Z)-
| Molecular Formula | C22H20N2O9S |
|---|---|
| Molecular Weight | 488.09 g/mol |
| LogP | 0.4707 |
| Topological Polar Surface Area | 171.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.08896 |
| Heavy Atoms | 34 |
| Complexity | 1323.1405 |
Chemical Identifiers
| CAS Number | 748756-08-3 |
|---|---|
| SMILES | C[C@@]1([C@@H](N2[C@H](S1(=O)=O)/C(=C\C3=CC=CC=N3)/C2=O)C(=O)O)COC(=O)CC4=CC(=C(C=C4)O)O |
Product Overview
LN-1-255 free acid (CAS 748756-08-3), with molecular formula C22H20N2O9S and molecular weight 488.09 g/mol. IUPAC: (2S,3R,5R,6Z)-3-[[2-(3,4-dihydroxyphenyl)acetyl]oxymethyl]-3-methyl-4,4,7-trioxo-6-(pyridin-2-ylmethylidene)-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of LN-1-255 free acid
Property Insights of LN-1-255 free acid
The XLogP value of 0.4707 suggests moderate lipophilicity, balancing water solubility and membrane permeability for LN-1-255 free acid. The TPSA of 171.4 Ų indicates high polarity, suggesting LN-1-255 free acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, LN-1-255 free acid has 3 hydrogen bond donor(s) and 9 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 LN-1-255 free acid?
The CAS number of LN-1-255 free acid is 748756-08-3.
What is the molecular formula of LN-1-255 free acid?
The molecular formula of LN-1-255 free acid is C22H20N2O9S.
What is the molecular weight of LN-1-255 free acid?
The molecular weight of LN-1-255 free acid is 488.09 g/mol.
Where can I buy LN-1-255 free acid?
You can request a quote for LN-1-255 free acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LN-1-255 free acid?
Yes, KEHONG BIO provides custom synthesis services for LN-1-255 free acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.