Acanthifolicin
TL;DR: Acanthifolicin (CAS 77739-71-0) is a chemical compound with molecular formula C44H68O13S and molecular weight 836.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3-[5'-hydroxy-4-[4-[4-hydroxy-2-[1-hydroxy-3-(3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-6-methylspiro[3-oxa-7-thiabicyclo[4.1.0]heptane-2,6'-oxane]-2'-yl]-2-methylpropanoic acid
Also Known As: Acanthifolicin, 2-hydroxy-3-[5'-hydroxy-4-[4-[4-hydroxy-2-[1-hydroxy-3-(9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl)butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-6-methylspiro[3-oxa-7-thiabicyclo[4.1.0]heptane-2,6'-oxane]-2'-yl]-2-methylpropanoic acid
| Molecular Formula | C44H68O13S |
|---|---|
| Molecular Weight | 836.44 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 836.43805 |
| Heavy Atoms | 58 |
| Complexity | 1560.0 |
Chemical Identifiers
| CAS Number | 77739-71-0 |
|---|---|
| SMILES | CC1CCC2(CCCCO2)OC1C(C)CC(C3C(=C)C(C4C(O3)CCC5(O4)CCC(O5)C=CC(C)C6CC7(C(S7)C8(O6)C(CCC(O8)CC(C)(C(=O)O)O)O)C)O)O |
| InChIKey | PBZVIYIWLYRXNM-UHFFFAOYSA-N |
Product Overview
Acanthifolicin (CAS 77739-71-0), with molecular formula C44H68O13S and molecular weight 836.44 g/mol. IUPAC: 2-hydroxy-3-[5'-hydroxy-4-[4-[4-hydroxy-2-[1-hydroxy-3-(3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-6-methylspiro[3-oxa-7-thiabicyclo[4.1.0]heptane-2,6'-oxane]-2'-yl]-2-methylpropanoic acid.
Chemical Property Profile of Acanthifolicin
Property Insights of Acanthifolicin
The XLogP value of 3.7 indicates that Acanthifolicin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 208.0 Ų indicates high polarity, suggesting Acanthifolicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acanthifolicin has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acanthifolicin?
The CAS number of Acanthifolicin is 77739-71-0.
What is the molecular formula of Acanthifolicin?
The molecular formula of Acanthifolicin is C44H68O13S.
What is the molecular weight of Acanthifolicin?
The molecular weight of Acanthifolicin is 836.44 g/mol.
Where can I buy Acanthifolicin?
You can request a quote for Acanthifolicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acanthifolicin?
Yes, KEHONG BIO provides custom synthesis services for Acanthifolicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.