LY 233536
TL;DR: LY 233536 (CAS 136845-59-5) is a chemical compound with molecular formula C12H19N5O2 and molecular weight 265.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4aS,6R,8aS)-6-(2H-tetrazol-5-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
Also Known As: LY 233536, Decahydro-6-(2H-tetrazol-5-ylmethyl)-3-isoquinolinecarboxylic acid, (3R,4aS,6R,8aS)-6-(2H-tetrazol-5-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid, 3-Isoquinolinecarboxylic acid, decahydro-6-(2H-tetrazol-5-ylmethyl)-, (3R,4aS,6R,8aS)-, 6-[(2H-Tetrazol-5-yl)methyl]decahydroisoquinoline-3-carboxylic acid
| Molecular Formula | C12H19N5O2 |
|---|---|
| Molecular Weight | 265.15 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.15387 |
| Heavy Atoms | 19 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 136845-59-5 |
|---|---|
| SMILES | C1C[C@@H]2CN[C@H](C[C@@H]2C[C@@H]1CC3=NNN=N3)C(=O)O |
| InChIKey | ACTONBBIVMTUAJ-DOLQZWNJSA-N |
Product Overview
LY 233536 (CAS 136845-59-5), with molecular formula C12H19N5O2 and molecular weight 265.15 g/mol. IUPAC: (3R,4aS,6R,8aS)-6-(2H-tetrazol-5-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid.
Chemical Property Profile of LY 233536
Property Insights of LY 233536
The XLogP value of -1.2 indicates that LY 233536 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for LY 233536. Following Lipinski's Rule of Five, LY 233536 has 3 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 LY 233536?
The CAS number of LY 233536 is 136845-59-5.
What is the molecular formula of LY 233536?
The molecular formula of LY 233536 is C12H19N5O2.
What is the molecular weight of LY 233536?
The molecular weight of LY 233536 is 265.15 g/mol.
Where can I buy LY 233536?
You can request a quote for LY 233536 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LY 233536?
Yes, KEHONG BIO provides custom synthesis services for LY 233536 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.