5,6-二氢青霉酸
TL;DR: 5,6-二氢青霉酸 (CAS 40732-50-1) is a chemical compound with molecular formula C8H12O4 and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-二氢青霉酸
5-hydroxy-4-methoxy-5-propan-2-ylfuran-2-one
Also Known As: 5,6-Dihydropenicillic acid, Crotyl phosphate, 5,6-Dihydropenicillicacid, 5-Hydroxy-4-methoxy-5-(1-methylethyl)-2(5H)-furanone, 5-hydroxy-4-methoxy-5-propan-2-ylfuran-2-one
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 40732-50-1 |
|---|---|
| SMILES | CC(C)C1(C(=CC(=O)O1)OC)O |
| InChIKey | XMLBVCBGTUQJHY-UHFFFAOYSA-N |
Product Overview
5,6-二氢青霉酸 (CAS 40732-50-1), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: 5-hydroxy-4-methoxy-5-propan-2-ylfuran-2-one.
Chemical Property Profile of 5,6-二氢青霉酸
Property Insights of 5,6-二氢青霉酸
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-二氢青霉酸. With a topological polar surface area (TPSA) of 55.8 Ų, 5,6-二氢青霉酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-二氢青霉酸 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 5,6-二氢青霉酸?
The CAS number of 5,6-二氢青霉酸 is 40732-50-1.
What is the molecular formula of 5,6-二氢青霉酸?
The molecular formula of 5,6-二氢青霉酸 is C8H12O4.
What is the molecular weight of 5,6-二氢青霉酸?
The molecular weight of 5,6-二氢青霉酸 is 172.07 g/mol.
Where can I buy 5,6-二氢青霉酸?
You can request a quote for 5,6-二氢青霉酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-二氢青霉酸?
Yes, KEHONG BIO provides custom synthesis services for 5,6-二氢青霉酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.