Roseocardin
TL;DR: Roseocardin (CAS 168972-17-6) is a chemical compound with molecular formula C31H53N5O7 and molecular weight 607.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,10S,13S,16S,19S,20S)-16-[(2S)-butan-2-yl]-10,11,14,20-tetramethyl-3-(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Also Known As: ROSEOCARDIN, (3R,10S,13S,16S,19S,20S)-16-[(2S)-butan-2-yl]-10,11,14,20-tetramethyl-3-(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone, (3R,10S,13S,16S,19S,20S)-16-((2S)-butan-2-yl)-10,11,14,20-tetramethyl-3-(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo(17.3.0)docosane-2,5,9,12,15,18-hexone, RefChem:179882
| Molecular Formula | C31H53N5O7 |
|---|---|
| Molecular Weight | 607.39 g/mol |
| LogP | 1.562 |
| Topological Polar Surface Area | 145.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 607.3945 |
| Heavy Atoms | 43 |
| Complexity | 1047.5438 |
Chemical Identifiers
| CAS Number | 168972-17-6 |
|---|---|
| SMILES | CC[C@H](C)[C@H]1C(=O)N([C@H](C(=O)N([C@H](C(=O)NCCC(=O)O[C@@H](C(=O)N2CC[C@@H]([C@H]2C(=O)N1)C)CC(C)C)C)C)C(C)C)C |
Product Overview
Roseocardin (CAS 168972-17-6), with molecular formula C31H53N5O7 and molecular weight 607.39 g/mol. IUPAC: (3R,10S,13S,16S,19S,20S)-16-[(2S)-butan-2-yl]-10,11,14,20-tetramethyl-3-(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone.
Chemical Property Profile of Roseocardin
Property Insights of Roseocardin
The XLogP value of 1.562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Roseocardin. The TPSA of 145.43 Ų indicates high polarity, suggesting Roseocardin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Roseocardin has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Roseocardin?
The CAS number of Roseocardin is 168972-17-6.
What is the molecular formula of Roseocardin?
The molecular formula of Roseocardin is C31H53N5O7.
What is the molecular weight of Roseocardin?
The molecular weight of Roseocardin is 607.39 g/mol.
Where can I buy Roseocardin?
You can request a quote for Roseocardin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Roseocardin?
Yes, KEHONG BIO provides custom synthesis services for Roseocardin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.