蒟酸
TL;DR: 蒟酸 (CAS 495-89-6) is a chemical compound with molecular formula C12H10O4 and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
蒟酸
(2Z,4Z)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid
Also Known As: Chavicinic acid, Piperonic acid, Piperic acid, (Z,E)-, Piperic acid (Z,E)-form [MI], PIPERIC ACID, (Z,Z)-
| Molecular Formula | C12H10O4 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 2.0693 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.0579 |
| Heavy Atoms | 16 |
| Complexity | 460.0866 |
Chemical Identifiers
| CAS Number | 495-89-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C\C=C/C(=O)O |
Product Overview
蒟酸 (CAS 495-89-6), with molecular formula C12H10O4 and molecular weight 218.06 g/mol. IUPAC: (2Z,4Z)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid.
Chemical Property Profile of 蒟酸
Property Insights of 蒟酸
The XLogP value of 2.0693 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 蒟酸. With a topological polar surface area (TPSA) of 55.76 Ų, 蒟酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 蒟酸 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 蒟酸?
The CAS number of 蒟酸 is 495-89-6.
What is the molecular formula of 蒟酸?
The molecular formula of 蒟酸 is C12H10O4.
What is the molecular weight of 蒟酸?
The molecular weight of 蒟酸 is 218.06 g/mol.
Where can I buy 蒟酸?
You can request a quote for 蒟酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 蒟酸?
Yes, KEHONG BIO provides custom synthesis services for 蒟酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.