黄青霉素
TL;DR: 黄青霉素 (CAS 580-74-5) is a chemical compound with molecular formula C18H12N2O2 and molecular weight 288.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
黄青霉素
4-[4-(4-hydroxyphenyl)-2,3-diisocyanobuta-1,3-dienyl]phenol
Also Known As: Xantocillin, Ophthocillin, NCI60_001506, 4-[4-(4-hydroxyphenyl)-2,3-diisocyanobuta-1,3-dienyl]phenol
| Molecular Formula | C18H12N2O2 |
|---|---|
| Molecular Weight | 288.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 49.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.08987 |
| Heavy Atoms | 22 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 580-74-5 |
|---|---|
| SMILES | [C-]#[N+]C(=CC1=CC=C(C=C1)O)C(=CC2=CC=C(C=C2)O)[N+]#[C-] |
| InChIKey | YBMVKDUTYAGKEW-UHFFFAOYSA-N |
Product Overview
黄青霉素 (CAS 580-74-5), with molecular formula C18H12N2O2 and molecular weight 288.09 g/mol. IUPAC: 4-[4-(4-hydroxyphenyl)-2,3-diisocyanobuta-1,3-dienyl]phenol.
Chemical Property Profile of 黄青霉素
Property Insights of 黄青霉素
The XLogP value of 3.1 indicates that 黄青霉素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.2 Ų, 黄青霉素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 黄青霉素 has 2 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 黄青霉素?
The CAS number of 黄青霉素 is 580-74-5.
What is the molecular formula of 黄青霉素?
The molecular formula of 黄青霉素 is C18H12N2O2.
What is the molecular weight of 黄青霉素?
The molecular weight of 黄青霉素 is 288.09 g/mol.
Where can I buy 黄青霉素?
You can request a quote for 黄青霉素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 黄青霉素?
Yes, KEHONG BIO provides custom synthesis services for 黄青霉素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.