密挤青霉酸
TL;DR: 密挤青霉酸 (CAS 4440-39-5) is a chemical compound with molecular formula C8H6O5 and molecular weight 182.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
密挤青霉酸
5,6-dihydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid
Also Known As: Stipitatic acid, Stipitatate, 3,6-Dihydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxylic acid, 3,6-dihydroxy-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid, 4-10-00-03859 (Beilstein Handbook Reference)
| Molecular Formula | C8H6O5 |
|---|---|
| Molecular Weight | 182.02 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.02153 |
| Heavy Atoms | 13 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 4440-39-5 |
|---|---|
| SMILES | C1=C(C=C(C(=CC1=O)O)O)C(=O)O |
| InChIKey | ZGKNMKBZOSTFCB-UHFFFAOYSA-N |
Product Overview
密挤青霉酸 (CAS 4440-39-5), with molecular formula C8H6O5 and molecular weight 182.02 g/mol. IUPAC: 5,6-dihydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid.
Chemical Property Profile of 密挤青霉酸
Property Insights of 密挤青霉酸
The XLogP value of -0.4 indicates that 密挤青霉酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 密挤青霉酸. Following Lipinski's Rule of Five, 密挤青霉酸 has 3 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 密挤青霉酸?
The CAS number of 密挤青霉酸 is 4440-39-5.
What is the molecular formula of 密挤青霉酸?
The molecular formula of 密挤青霉酸 is C8H6O5.
What is the molecular weight of 密挤青霉酸?
The molecular weight of 密挤青霉酸 is 182.02 g/mol.
Where can I buy 密挤青霉酸?
You can request a quote for 密挤青霉酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 密挤青霉酸?
Yes, KEHONG BIO provides custom synthesis services for 密挤青霉酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.