Calycosidine
TL;DR: Calycosidine (CAS 112262-96-1) is a chemical compound with molecular formula C33H38N6 and molecular weight 518.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11R)-5-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-21,22-dimethyl-3,12,21,24-tetrazahexacyclo[9.7.3.32,10.01,10.04,9.013,18]tetracosa-4,6,8,13,15,17-hexaene
Also Known As: Calycosidine, (-)-Calycosidine, (5R)-15,18-dimethyl-1-[(3aR,8aR)-1-methyl-2,3,8,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl]-5,6,11,12-tetrahydro-5,10b:11,4b-di(epiminoethano)dibenzo[c,h][2,6]naphthyridine, 15,18-Dimethyl-1-(1-methyl-2,3,8,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl)-5,6,11,12-tetrahydro-5,10b:11,4b-di(epiminoethano)dibenzo[c,h][2,6]naphthyridine, 5,10b:11,4b-Bis(iminoethano)dibenzo(c,h)(2,6)naphthyridine, 5,6,11,12-tetrahydro-13,18-dimethyl-1-((3aR,8aR)-2,3,8,8a-tetrahydro-1-methylpyrrolo(2,3-b)indol-3a(1H)-yl)-, (4bR,5R,10bS,11S)-
| Molecular Formula | C33H38N6 |
|---|---|
| Molecular Weight | 518.32 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 518.3158 |
| Heavy Atoms | 39 |
| Complexity | 989.0 |
Chemical Identifiers
| CAS Number | 112262-96-1 |
|---|---|
| SMILES | CC1CNC2C34C1([C@H](NC5=CC=CC=C53)N(CC4)C)C6=CC=CC(=C6N2)[C@]78CCN([C@H]7NC9=CC=CC=C89)C |
| InChIKey | HEOXUKMEWUFXHS-JNTVCXJZSA-N |
Product Overview
Calycosidine (CAS 112262-96-1), with molecular formula C33H38N6 and molecular weight 518.32 g/mol. IUPAC: (11R)-5-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-21,22-dimethyl-3,12,21,24-tetrazahexacyclo[9.7.3.32,10.01,10.04,9.013,18]tetracosa-4,6,8,13,15,17-hexaene.
Chemical Property Profile of Calycosidine
Property Insights of Calycosidine
The XLogP value of 5.7 indicates that Calycosidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.6 Ų, Calycosidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Calycosidine has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calycosidine?
The CAS number of Calycosidine is 112262-96-1.
What is the molecular formula of Calycosidine?
The molecular formula of Calycosidine is C33H38N6.
What is the molecular weight of Calycosidine?
The molecular weight of Calycosidine is 518.32 g/mol.
Where can I buy Calycosidine?
You can request a quote for Calycosidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calycosidine?
Yes, KEHONG BIO provides custom synthesis services for Calycosidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.