Herqueline
TL;DR: Herqueline (CAS 71812-08-3) is a chemical compound with molecular formula C19H26N2O2 and molecular weight 314.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,7R,8R,14S,17S)-15-methyl-1,15-diazapentacyclo[12.3.1.13,17.18,12.02,7]icos-12(20)-ene-6,9-dione
Also Known As: Herqueline, Herquline A, Herquline, Herquiline, J1.345.050A
| Molecular Formula | C19H26N2O2 |
|---|---|
| Molecular Weight | 314.20 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 314.19943 |
| Heavy Atoms | 23 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 71812-08-3 |
|---|---|
| SMILES | CN1C[C@@H]2C[C@H]3CCC(=O)[C@H]4[C@H]3N2C[C@@H]1CC5=C[C@H]4C(=O)CC5 |
| InChIKey | UFKNDVKQCSBIQE-OCANJJRCSA-N |
Product Overview
Herqueline (CAS 71812-08-3), with molecular formula C19H26N2O2 and molecular weight 314.20 g/mol. IUPAC: (2S,3R,7R,8R,14S,17S)-15-methyl-1,15-diazapentacyclo[12.3.1.13,17.18,12.02,7]icos-12(20)-ene-6,9-dione.
Chemical Property Profile of Herqueline
Property Insights of Herqueline
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Herqueline. With a topological polar surface area (TPSA) of 40.6 Ų, Herqueline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Herqueline has 0 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 Herqueline?
The CAS number of Herqueline is 71812-08-3.
What is the molecular formula of Herqueline?
The molecular formula of Herqueline is C19H26N2O2.
What is the molecular weight of Herqueline?
The molecular weight of Herqueline is 314.20 g/mol.
Where can I buy Herqueline?
You can request a quote for Herqueline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Herqueline?
Yes, KEHONG BIO provides custom synthesis services for Herqueline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.