Borrelidin
TL;DR: Borrelidin (CAS 7184-60-3) is a chemical compound with molecular formula C28H43NO6 and molecular weight 489.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(1R,2R)-2-[(2S,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid
Also Known As: Borrelidin, 2-(7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl)cyclopentane-1-carboxylic acid, (1R,2R)-2-[(2S,8R,9S,11R,13S,15S,16S)-7-Cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid
| Molecular Formula | C28H43NO6 |
|---|---|
| Molecular Weight | 489.31 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 489.30905 |
| Heavy Atoms | 35 |
| Complexity | 827.0 |
Chemical Identifiers
| CAS Number | 7184-60-3 |
|---|---|
| SMILES | C[C@H]1C[C@H](C[C@@H]([C@H](C(=CC=CC[C@H](OC(=O)C[C@@H]([C@H](C1)C)O)[C@@H]2CCC[C@H]2C(=O)O)C#N)O)C)C |
| InChIKey | OJCKRNPLOZHAOU-HBJZAWFCSA-N |
Product Overview
Borrelidin (CAS 7184-60-3), with molecular formula C28H43NO6 and molecular weight 489.31 g/mol. IUPAC: trans-(1R,2R)-2-[(2S,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid.
Chemical Property Profile of Borrelidin
Property Insights of Borrelidin
The XLogP value of 5.6 indicates that Borrelidin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Borrelidin. Following Lipinski's Rule of Five, Borrelidin has 3 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 Borrelidin?
The CAS number of Borrelidin is 7184-60-3.
What is the molecular formula of Borrelidin?
The molecular formula of Borrelidin is C28H43NO6.
What is the molecular weight of Borrelidin?
The molecular weight of Borrelidin is 489.31 g/mol.
Where can I buy Borrelidin?
You can request a quote for Borrelidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Borrelidin?
Yes, KEHONG BIO provides custom synthesis services for Borrelidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.