Culacorine
TL;DR: Culacorine (CAS 16209-79-3) 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.
(10S)-5-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaene-6,17-diol
Also Known As: Culacorine, Breoganine, (10S)-5-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,14(18),15-hexaene-6,17-diol, (12aS)-9-Methoxy-1-methyl-2,3,12,12a-tetrahydro-1H-[1]benzoxepino[2,3,4-ij]isoquinoline-6,10-diol, [12aS,(+)]-1,2,3,12abeta-Tetrahydro-9-methoxy-1-methyl-12H-[1]benzoxepino[2,3,4-ij]isoquinoline-6,10-diol
| Molecular Formula | C18H19NO4 |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.1314 |
| Heavy Atoms | 23 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 16209-79-3 |
|---|---|
| SMILES | CN1CCC2=C3[C@@H]1CC4=CC(=C(C=C4OC3=C(C=C2)O)OC)O |
| InChIKey | NEQWPVBUZDJIHK-LBPRGKRZSA-N |
Product Overview
Culacorine (CAS 16209-79-3), with molecular formula C18H19NO4 and molecular weight 313.13 g/mol. IUPAC: (10S)-5-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaene-6,17-diol.
Chemical Property Profile of Culacorine
Property Insights of Culacorine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Culacorine. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Culacorine. Following Lipinski's Rule of Five, Culacorine has 2 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 Culacorine?
The CAS number of Culacorine is 16209-79-3.
What is the molecular formula of Culacorine?
The molecular formula of Culacorine is C18H19NO4.
What is the molecular weight of Culacorine?
The molecular weight of Culacorine is 313.13 g/mol.
Where can I buy Culacorine?
You can request a quote for Culacorine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Culacorine?
Yes, KEHONG BIO provides custom synthesis services for Culacorine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.