Crosemperine
TL;DR: Crosemperine (CAS 35620-71-4) is a chemical compound with molecular formula C19H30NO6+ and molecular weight 368.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4R,5S,6R,13R,16S)-6,16-dihydroxy-5,6,13-trimethyl-4-propan-2-yl-2,8-dioxa-13-azoniatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
Also Known As: Crosemperine, 2-Phenoxynicotinic acid, (13-alpha,14-alpha)-14,19-Dihydro-8,12-dihydroxy-4,19-dimethyl-11,15-dioxocrotalananium, Crotalananium, 14,19-dihydro-8,12-dihydroxy-4,19-dimethyl-11,15-dioxo-, (13-alpha,14-alpha)-, (1R,4R,5S,6R,13R,16S)-6,16-dihydroxy-5,6,13-trimethyl-4-propan-2-yl-2,8-dioxa-13-azoniatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
| Molecular Formula | C19H30NO6+ |
|---|---|
| Molecular Weight | 368.21 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 368.2073 |
| Heavy Atoms | 26 |
| Complexity | 660.0 |
Chemical Identifiers
| CAS Number | 35620-71-4 |
|---|---|
| SMILES | C[C@H]1[C@H](C(=O)O[C@@H]2CC[N@+]3([C@@]2(C(=CC3)COC(=O)[C@]1(C)O)O)C)C(C)C |
| InChIKey | LCOIDUGPENFNRP-DMYWNUKNSA-N |
Product Overview
Crosemperine (CAS 35620-71-4), with molecular formula C19H30NO6+ and molecular weight 368.21 g/mol. IUPAC: (1R,4R,5S,6R,13R,16S)-6,16-dihydroxy-5,6,13-trimethyl-4-propan-2-yl-2,8-dioxa-13-azoniatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione.
Chemical Property Profile of Crosemperine
Property Insights of Crosemperine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crosemperine. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Crosemperine. Following Lipinski's Rule of Five, Crosemperine has 2 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 Crosemperine?
The CAS number of Crosemperine is 35620-71-4.
What is the molecular formula of Crosemperine?
The molecular formula of Crosemperine is C19H30NO6+.
What is the molecular weight of Crosemperine?
The molecular weight of Crosemperine is 368.21 g/mol.
Where can I buy Crosemperine?
You can request a quote for Crosemperine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crosemperine?
Yes, KEHONG BIO provides custom synthesis services for Crosemperine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.