荆芥类素 B
TL;DR: 荆芥类素 B (CAS 55486-06-1) is a chemical compound with molecular formula C17H14O6 and molecular weight 314.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
荆芥类素 B
[(Z)-2-(3,4-dihydroxyphenyl)ethenyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: Nepetoidin B, NepetoidinB, HY-N8263, [(Z)-2-(3,4-dihydroxyphenyl)ethenyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate, ((Z)-2-(3,4-dihydroxyphenyl)ethenyl) (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
| Molecular Formula | C17H14O6 |
|---|---|
| Molecular Weight | 314.08 g/mol |
| LogP | 2.7363 |
| Topological Polar Surface Area | 107.22 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.07904 |
| Heavy Atoms | 23 |
| Complexity | 776.6482 |
Chemical Identifiers
| CAS Number | 55486-06-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1/C=C/C(=O)O/C=C\C2=CC(=C(C=C2)O)O)O)O |
Product Overview
荆芥类素 B (CAS 55486-06-1), with molecular formula C17H14O6 and molecular weight 314.08 g/mol. IUPAC: [(Z)-2-(3,4-dihydroxyphenyl)ethenyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate.
Chemical Property Profile of 荆芥类素 B
Property Insights of 荆芥类素 B
The XLogP value of 2.7363 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 荆芥类素 B. The TPSA of 107.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 荆芥类素 B. Following Lipinski's Rule of Five, 荆芥类素 B has 4 hydrogen bond donor(s) and 6 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 荆芥类素 B?
The CAS number of 荆芥类素 B is 55486-06-1.
What is the molecular formula of 荆芥类素 B?
The molecular formula of 荆芥类素 B is C17H14O6.
What is the molecular weight of 荆芥类素 B?
The molecular weight of 荆芥类素 B is 314.08 g/mol.
Where can I buy 荆芥类素 B?
You can request a quote for 荆芥类素 B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 荆芥类素 B?
Yes, KEHONG BIO provides custom synthesis services for 荆芥类素 B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.