Nalanthalide
TL;DR: Nalanthalide (CAS 145603-76-5) is a chemical compound with molecular formula C30H44O5 and molecular weight 484.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,4aR,5R,8aR)-5-[(2-methoxy-5,6-dimethyl-4-oxopyran-3-yl)methyl]-1,4a-dimethyl-6-methylidene-1-(4-methylpent-3-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate
Also Known As: Nalanthalide, (-)-Nalanthalide, J1.478.614G, [(1S,2S,4aR,5R,8aR)-5-[(2-methoxy-5,6-dimethyl-4-oxopyran-3-yl)methyl]-1,4a-dimethyl-6-methylidene-1-(4-methylpent-3-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate, 3-[[(1R,4aR,5S,6S,8aR)-6-(acetyloxy)decahydro-5,8a-dimethyl-2-methylene-5-(4-methyl-3-penten-1-yl)-1-naphthalenyl]methyl]-2-methoxy-5,6-dimethyl-4H-pyran-4-one
| Molecular Formula | C30H44O5 |
|---|---|
| Molecular Weight | 484.32 g/mol |
| LogP | 6.87464 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 484.31888 |
| Heavy Atoms | 35 |
| Complexity | 1059.2406 |
Chemical Identifiers
| CAS Number | 145603-76-5 |
|---|---|
| SMILES | CC1=C(OC(=C(C1=O)C[C@@H]2C(=C)CC[C@@H]3[C@@]2(CC[C@@H]([C@@]3(C)CCC=C(C)C)OC(=O)C)C)OC)C |
Product Overview
Nalanthalide (CAS 145603-76-5), with molecular formula C30H44O5 and molecular weight 484.32 g/mol. IUPAC: [(1S,2S,4aR,5R,8aR)-5-[(2-methoxy-5,6-dimethyl-4-oxopyran-3-yl)methyl]-1,4a-dimethyl-6-methylidene-1-(4-methylpent-3-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate.
Chemical Property Profile of Nalanthalide
Property Insights of Nalanthalide
The XLogP value of 6.87464 indicates that Nalanthalide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Nalanthalide. Following Lipinski's Rule of Five, Nalanthalide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nalanthalide?
The CAS number of Nalanthalide is 145603-76-5.
What is the molecular formula of Nalanthalide?
The molecular formula of Nalanthalide is C30H44O5.
What is the molecular weight of Nalanthalide?
The molecular weight of Nalanthalide is 484.32 g/mol.
Where can I buy Nalanthalide?
You can request a quote for Nalanthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nalanthalide?
Yes, KEHONG BIO provides custom synthesis services for Nalanthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.