LY-53857 free base
TL;DR: LY-53857 free base (CAS 60634-51-7) is a chemical compound with molecular formula C23H32N2O3 and molecular weight 384.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxybutan-2-yl (6aR,9R,10aR)-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate
Also Known As: LY-53857 free base, LY-53,857 maleate, Lilly 53857, Biomol-NT_000165, LY53857 (free base)
| Molecular Formula | C23H32N2O3 |
|---|---|
| Molecular Weight | 384.24 g/mol |
| LogP | 3.4947 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.2413 |
| Heavy Atoms | 28 |
| Complexity | 885.3449 |
Chemical Identifiers
| CAS Number | 60634-51-7 |
|---|---|
| SMILES | CC(C)N1C=C2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)OC(C)C(C)O)C4=C2C1=CC=C4 |
Product Overview
LY-53857 free base (CAS 60634-51-7), with molecular formula C23H32N2O3 and molecular weight 384.24 g/mol. IUPAC: 3-hydroxybutan-2-yl (6aR,9R,10aR)-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate.
Chemical Property Profile of LY-53857 free base
Property Insights of LY-53857 free base
The XLogP value of 3.4947 indicates that LY-53857 free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.7 Ų, LY-53857 free base exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, LY-53857 free base has 1 hydrogen bond donor(s) and 4 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-53857 free base?
The CAS number of LY-53857 free base is 60634-51-7.
What is the molecular formula of LY-53857 free base?
The molecular formula of LY-53857 free base is C23H32N2O3.
What is the molecular weight of LY-53857 free base?
The molecular weight of LY-53857 free base is 384.24 g/mol.
Where can I buy LY-53857 free base?
You can request a quote for LY-53857 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LY-53857 free base?
Yes, KEHONG BIO provides custom synthesis services for LY-53857 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.