Crinine acetate
TL;DR: Crinine acetate (CAS 93452-26-7) is a chemical compound with molecular formula C18H19NO4 and molecular weight 313.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(13R,15R)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-yl] acetate
Also Known As: Crinine acetate, Krepowine, O-Acetylcrinine, 3-O-Acetylcrinine, 1,2-Didehydrocrinan-3-yl acetate
| Molecular Formula | C18H19NO4 |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.1314 |
| Heavy Atoms | 23 |
| Complexity | 549.0 |
Chemical Identifiers
| CAS Number | 93452-26-7 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C[C@@H]2C3(CCN2CC4=CC5=C(C=C43)OCO5)C=C1 |
| InChIKey | YEIGSYFTXGPBIB-DQAFQZJZSA-N |
Product Overview
Crinine acetate (CAS 93452-26-7), with molecular formula C18H19NO4 and molecular weight 313.13 g/mol. IUPAC: [(13R,15R)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-yl] acetate.
Chemical Property Profile of Crinine acetate
Property Insights of Crinine acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crinine acetate. With a topological polar surface area (TPSA) of 48.0 Ų, Crinine acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Crinine acetate has 0 hydrogen bond donor(s) and 5 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 Crinine acetate?
The CAS number of Crinine acetate is 93452-26-7.
What is the molecular formula of Crinine acetate?
The molecular formula of Crinine acetate is C18H19NO4.
What is the molecular weight of Crinine acetate?
The molecular weight of Crinine acetate is 313.13 g/mol.
Where can I buy Crinine acetate?
You can request a quote for Crinine acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crinine acetate?
Yes, KEHONG BIO provides custom synthesis services for Crinine acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.