Xanthocillin Y2
TL;DR: Xanthocillin Y2 (CAS 12705-20-3) is a chemical compound with molecular formula C18H12N2O4 and molecular weight 320.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1Z,3Z)-4-(3,4-dihydroxyphenyl)-2,3-diisocyanobuta-1,3-dienyl]benzene-1,2-diol
Also Known As: Xanthocillin Y 2, Brevicide Y2, xanthocillin y2, Brevicid Y2, XANTHOCILLIN Y2 [MI]
| Molecular Formula | C18H12N2O4 |
|---|---|
| Molecular Weight | 320.08 g/mol |
| LogP | 3.72958 |
| Topological Polar Surface Area | 89.64 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.0797 |
| Heavy Atoms | 24 |
| Complexity | 853.51056 |
Chemical Identifiers
| CAS Number | 12705-20-3 |
|---|---|
| SMILES | [C-]#[N+]/C(=C\C1=CC(=C(C=C1)O)O)/C(=C/C2=CC(=C(C=C2)O)O)/[N+]#[C-] |
Product Overview
Xanthocillin Y2 (CAS 12705-20-3), with molecular formula C18H12N2O4 and molecular weight 320.08 g/mol. IUPAC: 4-[(1Z,3Z)-4-(3,4-dihydroxyphenyl)-2,3-diisocyanobuta-1,3-dienyl]benzene-1,2-diol.
Chemical Property Profile of Xanthocillin Y2
Property Insights of Xanthocillin Y2
The XLogP value of 3.72958 indicates that Xanthocillin Y2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.64 Ų falls within the moderate polarity range, balancing permeability and solubility for Xanthocillin Y2. Following Lipinski's Rule of Five, Xanthocillin Y2 has 4 hydrogen bond donor(s) and 4 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 Y2?
The CAS number of Xanthocillin Y2 is 12705-20-3.
What is the molecular formula of Xanthocillin Y2?
The molecular formula of Xanthocillin Y2 is C18H12N2O4.
What is the molecular weight of Xanthocillin Y2?
The molecular weight of Xanthocillin Y2 is 320.08 g/mol.
Where can I buy Xanthocillin Y2?
You can request a quote for Xanthocillin Y2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthocillin Y2?
Yes, KEHONG BIO provides custom synthesis services for Xanthocillin Y2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.