LY 154045
TL;DR: LY 154045 (CAS 91706-86-4) is a chemical compound with molecular formula C20H27NO and molecular weight 297.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-(cyclopropylmethyl)-12-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
Also Known As: 12-(Cyclopropylmethyl)-12-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol, 4a,10b-Propanobenz(f)isoquinolin-9-ol, 3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-, 12-(cyclopropylmethyl)-12-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol, 3-(Cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-4a,10b-propanobenz[f]isoquinolin-9-ol, 3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-4a,10b-propanobenzo[f]isoquinolin-9-ol
| Molecular Formula | C20H27NO |
|---|---|
| Molecular Weight | 297.21 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.20926 |
| Heavy Atoms | 22 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 91706-86-4 |
|---|---|
| SMILES | C1CC23CCC4=C(C2(C1)CCN(C3)CC5CC5)C=C(C=C4)O |
| InChIKey | LRSHHXKGGJSRDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
LY 154045 (CAS 91706-86-4), with molecular formula C20H27NO and molecular weight 297.21 g/mol. IUPAC: 12-(cyclopropylmethyl)-12-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol.
Chemical Property Profile of LY 154045
Property Insights of LY 154045
The XLogP value of 4.3 indicates that LY 154045 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, LY 154045 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, LY 154045 has 1 hydrogen bond donor(s) and 2 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 154045?
The CAS number of LY 154045 is 91706-86-4.
What is the molecular formula of LY 154045?
The molecular formula of LY 154045 is C20H27NO.
What is the molecular weight of LY 154045?
The molecular weight of LY 154045 is 297.21 g/mol.
Where can I buy LY 154045?
You can request a quote for LY 154045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LY 154045?
Yes, KEHONG BIO provides custom synthesis services for LY 154045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.