Carolinianine
TL;DR: Carolinianine (CAS 36101-39-0) is a chemical compound with molecular formula C16H24N2O2 and molecular weight 276.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,7S,9R,13R,14R)-14-hydroxy-11-methyl-2,17-diazatetracyclo[7.7.1.02,7.013,17]heptadec-11-en-3-one
Also Known As: Carolinianine, 14,15-Didehydrolycocernuine, Lycocernuine, 14,15-didehydro-, (1S,7S,9R,13R,14R)-14-hydroxy-11-methyl-2,17-diazatetracyclo[7.7.1.02,7.013,17]heptadec-11-en-3-one, (3R,3aR,6aR,7aS,12aS)-3-Hydroxy-5-methyl-1,2,3,3a,6,6a,7,7a,8,9,10,12a-dodecahydro-11H-pyrido[1',2':3,4]pyrimido[2,1,6-de]quinolizin-11-one
| Molecular Formula | C16H24N2O2 |
|---|---|
| Molecular Weight | 276.18 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 276.18378 |
| Heavy Atoms | 20 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 36101-39-0 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@@H](CC[C@H]3N2[C@H](C1)C[C@H]4N3C(=O)CCC4)O |
| InChIKey | YRHGJVCKHYJQQO-JARUQAPTSA-N |
Product Overview
Carolinianine (CAS 36101-39-0), with molecular formula C16H24N2O2 and molecular weight 276.18 g/mol. IUPAC: (1S,7S,9R,13R,14R)-14-hydroxy-11-methyl-2,17-diazatetracyclo[7.7.1.02,7.013,17]heptadec-11-en-3-one.
Chemical Property Profile of Carolinianine
Property Insights of Carolinianine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carolinianine. With a topological polar surface area (TPSA) of 43.8 Ų, Carolinianine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carolinianine has 1 hydrogen bond donor(s) and 3 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 Carolinianine?
The CAS number of Carolinianine is 36101-39-0.
What is the molecular formula of Carolinianine?
The molecular formula of Carolinianine is C16H24N2O2.
What is the molecular weight of Carolinianine?
The molecular weight of Carolinianine is 276.18 g/mol.
Where can I buy Carolinianine?
You can request a quote for Carolinianine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carolinianine?
Yes, KEHONG BIO provides custom synthesis services for Carolinianine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.