青霉酸
TL;DR: 青霉酸 (CAS 90-65-3) is a chemical compound with molecular formula C8H10O4 and molecular weight 170.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
青霉酸
3-methoxy-5-methyl-4-oxohexa-2,5-dienoic acid
Also Known As: penicillic acid, Pencillic acid, Kyselina penicilova, Kyselina penicilova [Czech], 2,5-Hexadienoic acid, 3-methoxy-5-methyl-4-oxo-
| Molecular Formula | C8H10O4 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.0579 |
| Heavy Atoms | 12 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 90-65-3 |
|---|---|
| SMILES | CC(=C)C(=O)C(=CC(=O)O)OC |
| InChIKey | VOUGEZYPVGAPBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
青霉酸 (CAS 90-65-3), with molecular formula C8H10O4 and molecular weight 170.06 g/mol. IUPAC: 3-methoxy-5-methyl-4-oxohexa-2,5-dienoic acid.
Chemical Property Profile of 青霉酸
Property Insights of 青霉酸
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 青霉酸. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 青霉酸. Following Lipinski's Rule of Five, 青霉酸 has 1 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 青霉酸?
The CAS number of 青霉酸 is 90-65-3.
What is the molecular formula of 青霉酸?
The molecular formula of 青霉酸 is C8H10O4.
What is the molecular weight of 青霉酸?
The molecular weight of 青霉酸 is 170.06 g/mol.
Where can I buy 青霉酸?
You can request a quote for 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 青霉酸?
Yes, KEHONG BIO provides custom synthesis services for 青霉酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.