Cularicine
TL;DR: Cularicine (CAS 2271-08-1) is a chemical compound with molecular formula C18H17NO4 and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(13S)-14-methyl-2,6,8-trioxa-14-azapentacyclo[11.7.1.03,11.05,9.017,21]henicosa-1(20),3,5(9),10,17(21),18-hexaen-20-ol
Also Known As: Cularicine, J2.769.800J, (13S)-14-methyl-2,6,8-trioxa-14-azapentacyclo[11.7.1.03,11.05,9.017,21]henicosa-1(20),3,5(9),10,17(21),18-hexaen-20-ol, (13aS)-1-Methyl-2,3,13,13a-tetrahydro-1H,10H-[1,3]dioxolo[7,8][1]benzoxepino[2,3,4-ij]isoquinolin-6-ol, (13aS)-2,3,13,13a-Tetrahydro-1-methyl-1H-[1,3]dioxolo[7,8][1]benzooxepino[2,3,4-ij]isoquinoline-6-ol
| Molecular Formula | C18H17NO4 |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 311.11575 |
| Heavy Atoms | 23 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 2271-08-1 |
|---|---|
| SMILES | CN1CCC2=C3[C@@H]1CC4=CC5=C(C=C4OC3=C(C=C2)O)OCO5 |
| InChIKey | RUNKBNVIYGVBMW-LBPRGKRZSA-N |
Product Overview
Cularicine (CAS 2271-08-1), with molecular formula C18H17NO4 and molecular weight 311.12 g/mol. IUPAC: (13S)-14-methyl-2,6,8-trioxa-14-azapentacyclo[11.7.1.03,11.05,9.017,21]henicosa-1(20),3,5(9),10,17(21),18-hexaen-20-ol.
Chemical Property Profile of Cularicine
Property Insights of Cularicine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cularicine. With a topological polar surface area (TPSA) of 51.2 Ų, Cularicine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cularicine has 1 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 Cularicine?
The CAS number of Cularicine is 2271-08-1.
What is the molecular formula of Cularicine?
The molecular formula of Cularicine is C18H17NO4.
What is the molecular weight of Cularicine?
The molecular weight of Cularicine is 311.12 g/mol.
Where can I buy Cularicine?
You can request a quote for Cularicine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cularicine?
Yes, KEHONG BIO provides custom synthesis services for Cularicine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.