Crivelline
TL;DR: Crivelline (CAS 545-16-4) is a chemical compound with molecular formula C18H21NO5 and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,13S,16S,18R)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-13-ol
Also Known As: Crivelline, 3-Epitazettine, Sekisanolin, tazettine,(3, A)-
| Molecular Formula | C18H21NO5 |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.14197 |
| Heavy Atoms | 24 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 545-16-4 |
|---|---|
| SMILES | CN1C[C@@]2([C@]3([C@@H]1C[C@H](C=C3)OC)C4=CC5=C(C=C4CO2)OCO5)O |
| InChIKey | YLWAQARRNQVEHD-GYIHYUDTSA-N |
Product Overview
Crivelline (CAS 545-16-4), with molecular formula C18H21NO5 and molecular weight 331.14 g/mol. IUPAC: (1S,13S,16S,18R)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-13-ol.
Chemical Property Profile of Crivelline
Property Insights of Crivelline
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crivelline. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Crivelline. Following Lipinski's Rule of Five, Crivelline has 1 hydrogen bond donor(s) and 6 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 Crivelline?
The CAS number of Crivelline is 545-16-4.
What is the molecular formula of Crivelline?
The molecular formula of Crivelline is C18H21NO5.
What is the molecular weight of Crivelline?
The molecular weight of Crivelline is 331.14 g/mol.
Where can I buy Crivelline?
You can request a quote for Crivelline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crivelline?
Yes, KEHONG BIO provides custom synthesis services for Crivelline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.