Assafoetidnol B
TL;DR: Assafoetidnol B (CAS 403642-11-5) is a chemical compound with molecular formula C26H32O7 and molecular weight 456.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,4aS,5R,7S,8S,8aS)-7,8-dihydroxy-1,1,4a-trimethyl-6-methylidene-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate
Also Known As: Assafoetidnol B, J1.469.796I, [(2S,4aS,5R,7S,8S,8aS)-7,8-dihydroxy-1,1,4a-trimethyl-6-methylidene-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate, ((2S,4aS,5R,7S,8S,8aS)-7,8-dihydroxy-1,1,4a-trimethyl-6-methylidene-5-((2-oxochromen-7-yl)oxymethyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl) acetate, (2R,4aR,5S,7R,8R,8aR)-7,8-dihydroxy-1,1,4a-trimethyl-6-methylene-5-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}decahydronaphthalen-2-yl rel-acetate
| Molecular Formula | C26H32O7 |
|---|---|
| Molecular Weight | 456.21 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.2148 |
| Heavy Atoms | 33 |
| Complexity | 832.0 |
Chemical Identifiers
| CAS Number | 403642-11-5 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@]2([C@H](C(=C)[C@@H]([C@H]([C@@H]2C1(C)C)O)O)COC3=CC4=C(C=C3)C=CC(=O)O4)C |
| InChIKey | CKPWNMFJQJVNER-DVITTYBWSA-N |
Product Overview
Assafoetidnol B (CAS 403642-11-5), with molecular formula C26H32O7 and molecular weight 456.21 g/mol. IUPAC: [(2S,4aS,5R,7S,8S,8aS)-7,8-dihydroxy-1,1,4a-trimethyl-6-methylidene-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate.
Chemical Property Profile of Assafoetidnol B
Property Insights of Assafoetidnol B
The XLogP value of 3.2 indicates that Assafoetidnol B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Assafoetidnol B. Following Lipinski's Rule of Five, Assafoetidnol B has 2 hydrogen bond donor(s) and 7 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 Assafoetidnol B?
The CAS number of Assafoetidnol B is 403642-11-5.
What is the molecular formula of Assafoetidnol B?
The molecular formula of Assafoetidnol B is C26H32O7.
What is the molecular weight of Assafoetidnol B?
The molecular weight of Assafoetidnol B is 456.21 g/mol.
Where can I buy Assafoetidnol B?
You can request a quote for Assafoetidnol B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Assafoetidnol B?
Yes, KEHONG BIO provides custom synthesis services for Assafoetidnol B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.