Aerocyanidin
TL;DR: Aerocyanidin (CAS 1137014-87-9) is a chemical compound with molecular formula C15H25NO4 and molecular weight 283.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(3-isocyano-3-methyloxiran-2-yl)undecaneperoxoic acid
Also Known As: Aerocyanidin, Methyl O-3-pyridinyl-L-tyrosinate, 11-(3-isocyano-3-methyloxiran-2-yl)undecaneperoxoic acid, 2-amino-2-(3,5-dichlorophenyl)acetic acid,hydrochloride, kappa-Hydroxy-3-isocyano-3-methyloxiraneundecanoic acid (2-alpha(R*),3-alpha)-(-)-
| Molecular Formula | C15H25NO4 |
|---|---|
| Molecular Weight | 283.18 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 283.17834 |
| Heavy Atoms | 20 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 1137014-87-9 |
|---|---|
| SMILES | CC1(C(O1)CCCCCCCCCCC(=O)OO)[N+]#[C-] |
| InChIKey | NYURBVOZXRWAPK-UHFFFAOYSA-N |
Product Overview
Aerocyanidin (CAS 1137014-87-9), with molecular formula C15H25NO4 and molecular weight 283.18 g/mol. IUPAC: 11-(3-isocyano-3-methyloxiran-2-yl)undecaneperoxoic acid.
Chemical Property Profile of Aerocyanidin
Property Insights of Aerocyanidin
The XLogP value of 3.6 indicates that Aerocyanidin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Aerocyanidin. Following Lipinski's Rule of Five, Aerocyanidin has 1 hydrogen bond donor(s) and 5 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 Aerocyanidin?
The CAS number of Aerocyanidin is 1137014-87-9.
What is the molecular formula of Aerocyanidin?
The molecular formula of Aerocyanidin is C15H25NO4.
What is the molecular weight of Aerocyanidin?
The molecular weight of Aerocyanidin is 283.18 g/mol.
Where can I buy Aerocyanidin?
You can request a quote for Aerocyanidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aerocyanidin?
Yes, KEHONG BIO provides custom synthesis services for Aerocyanidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.