Neochamaejasmine B
TL;DR: Neochamaejasmine B (CAS 871319-96-9) is a chemical compound with molecular formula C30H22O10 and molecular weight 542.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Also Known As: Chamaejasmin, Isochamaejasmin, Chamaejasmine, Neochamaejasmine A, Isochamaejasmine
| Molecular Formula | C30H22O10 |
|---|---|
| Molecular Weight | 542.12 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 542.1213 |
| Heavy Atoms | 40 |
| Complexity | 853.0 |
Chemical Identifiers
| CAS Number | 871319-96-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)C4C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O |
| InChIKey | RNQBLQALVMHBKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Neochamaejasmine B (CAS 871319-96-9), with molecular formula C30H22O10 and molecular weight 542.12 g/mol. IUPAC: 3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one.
Chemical Property Profile of Neochamaejasmine B
Property Insights of Neochamaejasmine B
The XLogP value of 4.6 indicates that Neochamaejasmine B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 174.0 Ų indicates high polarity, suggesting Neochamaejasmine B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neochamaejasmine B has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neochamaejasmine B?
The CAS number of Neochamaejasmine B is 871319-96-9.
What is the molecular formula of Neochamaejasmine B?
The molecular formula of Neochamaejasmine B is C30H22O10.
What is the molecular weight of Neochamaejasmine B?
The molecular weight of Neochamaejasmine B is 542.12 g/mol.
Where can I buy Neochamaejasmine B?
You can request a quote for Neochamaejasmine B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neochamaejasmine B?
Yes, KEHONG BIO provides custom synthesis services for Neochamaejasmine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.