Nectandrin B
TL;DR: Nectandrin B (CAS 112652-46-7) is a chemical compound with molecular formula C20H24O5 and molecular weight 344.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2R,3R,4S,5S)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
Also Known As: Nectandrin B, nectandrin-B, Malabaricanol, Calophyllin, NectandrinB
| Molecular Formula | C20H24O5 |
|---|---|
| Molecular Weight | 344.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.16238 |
| Heavy Atoms | 25 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 112652-46-7 |
|---|---|
| SMILES | C[C@@H]1[C@@H]([C@H](O[C@H]1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C |
| InChIKey | GMXMKSFJQLFOSO-JARDSOJUSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nectandrin B (CAS 112652-46-7), with molecular formula C20H24O5 and molecular weight 344.16 g/mol. IUPAC: 4-[(2R,3R,4S,5S)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol.
Chemical Property Profile of Nectandrin B
Property Insights of Nectandrin B
The XLogP value of 3.7 indicates that Nectandrin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Nectandrin B. Following Lipinski's Rule of Five, Nectandrin B has 2 hydrogen bond donor(s) and 5 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 Nectandrin B?
The CAS number of Nectandrin B is 112652-46-7.
What is the molecular formula of Nectandrin B?
The molecular formula of Nectandrin B is C20H24O5.
What is the molecular weight of Nectandrin B?
The molecular weight of Nectandrin B is 344.16 g/mol.
Where can I buy Nectandrin B?
You can request a quote for Nectandrin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nectandrin B?
Yes, KEHONG BIO provides custom synthesis services for Nectandrin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.