Xanthocillin Y1
TL;DR: Xanthocillin Y1 (CAS 11028-15-2) is a chemical compound with molecular formula C18H12N2O3 and molecular weight 304.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1Z,3Z)-4-(4-hydroxyphenyl)-2,3-diisocyanobuta-1,3-dienyl]benzene-1,2-diol
Also Known As: Xanthocillin Y 1, xanthocillin y1, Brevicide Y1, Brevicid Y1, XANTHOCILLIN Y1 [MI]
| Molecular Formula | C18H12N2O3 |
|---|---|
| Molecular Weight | 304.08 g/mol |
| LogP | 4.02398 |
| Topological Polar Surface Area | 69.41 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.08478 |
| Heavy Atoms | 23 |
| Complexity | 866.6202 |
Chemical Identifiers
| CAS Number | 11028-15-2 |
|---|---|
| SMILES | [C-]#[N+]/C(=C\C1=CC=C(C=C1)O)/C(=C/C2=CC(=C(C=C2)O)O)/[N+]#[C-] |
Product Overview
Xanthocillin Y1 (CAS 11028-15-2), with molecular formula C18H12N2O3 and molecular weight 304.08 g/mol. IUPAC: 4-[(1Z,3Z)-4-(4-hydroxyphenyl)-2,3-diisocyanobuta-1,3-dienyl]benzene-1,2-diol.
Chemical Property Profile of Xanthocillin Y1
Property Insights of Xanthocillin Y1
The XLogP value of 4.02398 indicates that Xanthocillin Y1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.41 Ų falls within the moderate polarity range, balancing permeability and solubility for Xanthocillin Y1. Following Lipinski's Rule of Five, Xanthocillin Y1 has 3 hydrogen bond donor(s) and 3 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 Xanthocillin Y1?
The CAS number of Xanthocillin Y1 is 11028-15-2.
What is the molecular formula of Xanthocillin Y1?
The molecular formula of Xanthocillin Y1 is C18H12N2O3.
What is the molecular weight of Xanthocillin Y1?
The molecular weight of Xanthocillin Y1 is 304.08 g/mol.
Where can I buy Xanthocillin Y1?
You can request a quote for Xanthocillin Y1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthocillin Y1?
Yes, KEHONG BIO provides custom synthesis services for Xanthocillin Y1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.