LY 215891
TL;DR: LY 215891 (CAS 68403-79-2) is a chemical compound with molecular formula C12H10ClN5O5S2 and molecular weight 402.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: LY 215891, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(hydroxyimino)acetyl)amino)-3-chloro-8-oxo-, (6R-(6alpha,7beta(Z)))-, (6R)-7alpha-[[(Z)-2-(2-Amino-4-thiazolyl)-2-(hydroxyimino)acetyl]amino]-3-chloro-8-oxo-1-aza-5-thiabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(N-hydroxyimino)acetamido]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C12H10ClN5O5S2 |
|---|---|
| Molecular Weight | 402.98 g/mol |
| LogP | -0.1615 |
| Topological Polar Surface Area | 158.21 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.9812 |
| Heavy Atoms | 25 |
| Complexity | 837.6171 |
Chemical Identifiers
| CAS Number | 68403-79-2 |
|---|---|
| SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)N)C(=O)O)Cl |
Product Overview
LY 215891 (CAS 68403-79-2), with molecular formula C12H10ClN5O5S2 and molecular weight 402.98 g/mol. IUPAC: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of LY 215891
Property Insights of LY 215891
The XLogP value of -0.1615 indicates that LY 215891 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.21 Ų indicates high polarity, suggesting LY 215891 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, LY 215891 has 4 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 LY 215891?
The CAS number of LY 215891 is 68403-79-2.
What is the molecular formula of LY 215891?
The molecular formula of LY 215891 is C12H10ClN5O5S2.
What is the molecular weight of LY 215891?
The molecular weight of LY 215891 is 402.98 g/mol.
Where can I buy LY 215891?
You can request a quote for LY 215891 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LY 215891?
Yes, KEHONG BIO provides custom synthesis services for LY 215891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.