Mer NF5003B
TL;DR: Mer NF5003B (CAS 159121-97-8) is a chemical compound with molecular formula C23H32O6 and molecular weight 404.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4'-trihydroxy-6'-(hydroxymethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-7'-carbaldehyde
Also Known As: Mer NF5003B, Mer-NF5003B, Mer-NF-5003B, (1'R-(1'alpha,2'alpha,4'aalpha,6'alpha,7'alpha,8'abeta))-3',4',4'a,5',6',7',8',8'a-Octahydro-4,6',7'-trihydroxy-6-(hydroxymethyl)-2',5',5',8'a-tetramethylspiro(benzofuran-2(3H),1'(2'H)-naphthalene)-7-carboxaldehyde, 2,3,4'-trihydroxy-6'-(hydroxymethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-7'-carbaldehyde
| Molecular Formula | C23H32O6 |
|---|---|
| Molecular Weight | 404.22 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 404.21988 |
| Heavy Atoms | 29 |
| Complexity | 651.0 |
Chemical Identifiers
| CAS Number | 159121-97-8 |
|---|---|
| SMILES | CC1CCC2C(C(C(CC2(C13CC4=C(C=C(C(=C4O3)C=O)CO)O)C)O)O)(C)C |
| InChIKey | NZIVCAVTGFEAJT-UHFFFAOYSA-N |
Product Overview
Mer NF5003B (CAS 159121-97-8), with molecular formula C23H32O6 and molecular weight 404.22 g/mol. IUPAC: 2,3,4'-trihydroxy-6'-(hydroxymethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-7'-carbaldehyde.
Chemical Property Profile of Mer NF5003B
Property Insights of Mer NF5003B
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mer NF5003B. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Mer NF5003B. Following Lipinski's Rule of Five, Mer NF5003B 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 Mer NF5003B?
The CAS number of Mer NF5003B is 159121-97-8.
What is the molecular formula of Mer NF5003B?
The molecular formula of Mer NF5003B is C23H32O6.
What is the molecular weight of Mer NF5003B?
The molecular weight of Mer NF5003B is 404.22 g/mol.
Where can I buy Mer NF5003B?
You can request a quote for Mer NF5003B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mer NF5003B?
Yes, KEHONG BIO provides custom synthesis services for Mer NF5003B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.