(+)-Calycanthidine
TL;DR: (+)-Calycanthidine (CAS 5516-85-8) is a chemical compound with molecular formula C23H28N4 and molecular weight 360.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,8bR)-8b-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
Also Known As: Calycanthidine, (+)-calycanthidine, calycanthidine, (+)-, (3aS,8bR)-8b-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole, (3aR,3a'R,8aS,8a'R)-1,1',8-trimethyl-2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indole
| Molecular Formula | C23H28N4 |
|---|---|
| Molecular Weight | 360.23 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 21.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 360.23138 |
| Heavy Atoms | 27 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 5516-85-8 |
|---|---|
| SMILES | CN1CC[C@]2([C@@H]1NC3=CC=CC=C32)[C@]45CCN([C@H]4N(C6=CC=CC=C56)C)C |
| InChIKey | GSQUXSFTXJRLQJ-LDVJMBRRSA-N |
Product Overview
(+)-Calycanthidine (CAS 5516-85-8), with molecular formula C23H28N4 and molecular weight 360.23 g/mol. IUPAC: (3aS,8bR)-8b-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.
Chemical Property Profile of (+)-Calycanthidine
Property Insights of (+)-Calycanthidine
The XLogP value of 4.1 indicates that (+)-Calycanthidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.8 Ų, (+)-Calycanthidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+)-Calycanthidine has 1 hydrogen bond donor(s) and 4 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 (+)-Calycanthidine?
The CAS number of (+)-Calycanthidine is 5516-85-8.
What is the molecular formula of (+)-Calycanthidine?
The molecular formula of (+)-Calycanthidine is C23H28N4.
What is the molecular weight of (+)-Calycanthidine?
The molecular weight of (+)-Calycanthidine is 360.23 g/mol.
Where can I buy (+)-Calycanthidine?
You can request a quote for (+)-Calycanthidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Calycanthidine?
Yes, KEHONG BIO provides custom synthesis services for (+)-Calycanthidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.