球二孢菌素
TL;DR: 球二孢菌素 (CAS 27098-03-9) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
球二孢菌素
1-(5-hydroxy-4-methyloxolan-3-yl)ethanone
Also Known As: Botryodiplodin, Cytostipin, Antibiotic PSX 1, Botryodipolodin, Botrydiplodin
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 144.0 |
| Melting Point | 50 - 52 °C |
Chemical Identifiers
| CAS Number | 27098-03-9 |
|---|---|
| SMILES | CC1C(COC1O)C(=O)C |
| InChIKey | CLYSZQBIUYRLNX-UHFFFAOYSA-N |
Product Overview
球二孢菌素 (CAS 27098-03-9), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: 1-(5-hydroxy-4-methyloxolan-3-yl)ethanone.
Chemical Property Profile of 球二孢菌素
Property Insights of 球二孢菌素
The XLogP value of -0.2 indicates that 球二孢菌素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.5 Ų, 球二孢菌素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 球二孢菌素 has 1 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 球二孢菌素?
The CAS number of 球二孢菌素 is 27098-03-9.
What is the molecular formula of 球二孢菌素?
The molecular formula of 球二孢菌素 is C7H12O3.
What is the molecular weight of 球二孢菌素?
The molecular weight of 球二孢菌素 is 144.08 g/mol.
Where can I buy 球二孢菌素?
You can request a quote for 球二孢菌素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 球二孢菌素?
Yes, KEHONG BIO provides custom synthesis services for 球二孢菌素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.