LS 58500
TL;DR: LS 58500 (CAS 39071-30-2) is a chemical compound with molecular formula C27H36O8 and molecular weight 488.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,6R,10S,11R,12S,13S,15R)-12-(acetyloxymethyl)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,15-trimethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (E)-2-methylbut-2-enoate
Also Known As: LS 58500, (1S,1aR,1bS,4aR,7aS,7bR,8R,9aS)-1-(Acetoxymethyl)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,6,8-trimethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl (E)-2-methylbut-2-enoate, [(1R,2S,6R,10S,11R,12S,13S,15R)-12-(Acetyloxymethyl)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,15-trimethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (E)-2-methylbut-2-enoate, 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-4a-alpha,7b-alpha,9a-alpha-trihydroxy-3-hydroxymethyl-1,6,8-alpha-trimethyl-1-acetoxymethyl-, 9a-(2-methylbut-2-enoate)
| Molecular Formula | C27H36O8 |
|---|---|
| Molecular Weight | 488.24 g/mol |
| LogP | 2.0196 |
| Topological Polar Surface Area | 130.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.24103 |
| Heavy Atoms | 35 |
| Complexity | 1071.0522 |
Chemical Identifiers
| CAS Number | 39071-30-2 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)O[C@@]12C[C@H]([C@]3([C@H]([C@@H]1[C@@]2(C)COC(=O)C)C=C(C[C@]4([C@H]3C=C(C4=O)C)O)CO)O)C |
Product Overview
LS 58500 (CAS 39071-30-2), with molecular formula C27H36O8 and molecular weight 488.24 g/mol. IUPAC: [(1R,2S,6R,10S,11R,12S,13S,15R)-12-(acetyloxymethyl)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,15-trimethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (E)-2-methylbut-2-enoate.
Chemical Property Profile of LS 58500
Property Insights of LS 58500
The XLogP value of 2.0196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for LS 58500. The TPSA of 130.36 Ų falls within the moderate polarity range, balancing permeability and solubility for LS 58500. Following Lipinski's Rule of Five, LS 58500 has 3 hydrogen bond donor(s) and 8 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 LS 58500?
The CAS number of LS 58500 is 39071-30-2.
What is the molecular formula of LS 58500?
The molecular formula of LS 58500 is C27H36O8.
What is the molecular weight of LS 58500?
The molecular weight of LS 58500 is 488.24 g/mol.
Where can I buy LS 58500?
You can request a quote for LS 58500 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LS 58500?
Yes, KEHONG BIO provides custom synthesis services for LS 58500 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.