Tolypodiol
TL;DR: Tolypodiol (CAS 178948-67-9) is a chemical compound with molecular formula C28H40O5 and molecular weight 456.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2S,11S,14S,15R,16R,20S,21R)-16,21-dihydroxy-1,11,15,19,19-pentamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-triene-6-carboxylate
Also Known As: Tolypodiol, methyl (1R,2S,11S,14S,15R,16R,20S,21R)-16,21-dihydroxy-1,11,15,19,19-pentamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-triene-6-carboxylate, methyl (4R,4aR,4bS,6aS,12aS,12bR,14R,14aS)-4,14-dihydroxy-1,1,4a,6a,12b-pentamethyl-2,3,4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-tetradecahydro-1H-naphtho[2,1-a]xanthene-10-carboxylate, 16,24-Cyclo-D(17a)-homo-21-nor-17a-oxachola-16,20(22),23-triene-23-carboxylic acid, 1,6-dihydroxy-4,4,8-trimethyl-, methyl ester, (1beta,5alpha,6beta)-, 16,24-Cyclo-D(17a)-homo-21-nor-17a-oxachola-16,20(22),23-triene-23-carboxylic acid, 1,6-dihydroxy-4,4,8-trimethyl-,methyl ester, (1beta,5alpha,6beta)-
| Molecular Formula | C28H40O5 |
|---|---|
| Molecular Weight | 456.29 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 456.28757 |
| Heavy Atoms | 33 |
| Complexity | 795.0 |
Chemical Identifiers
| CAS Number | 178948-67-9 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@]([C@@H]1CC4=C(O2)C=CC(=C4)C(=O)OC)(C[C@H]([C@@H]5[C@@]3([C@@H](CCC5(C)C)O)C)O)C |
| InChIKey | NQNQLGPYASRQND-KNFPFGBTSA-N |
Product Overview
Tolypodiol (CAS 178948-67-9), with molecular formula C28H40O5 and molecular weight 456.29 g/mol. IUPAC: methyl (1R,2S,11S,14S,15R,16R,20S,21R)-16,21-dihydroxy-1,11,15,19,19-pentamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-triene-6-carboxylate.
Chemical Property Profile of Tolypodiol
Property Insights of Tolypodiol
The XLogP value of 5.2 indicates that Tolypodiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tolypodiol. Following Lipinski's Rule of Five, Tolypodiol has 2 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 Tolypodiol?
The CAS number of Tolypodiol is 178948-67-9.
What is the molecular formula of Tolypodiol?
The molecular formula of Tolypodiol is C28H40O5.
What is the molecular weight of Tolypodiol?
The molecular weight of Tolypodiol is 456.29 g/mol.
Where can I buy Tolypodiol?
You can request a quote for Tolypodiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tolypodiol?
Yes, KEHONG BIO provides custom synthesis services for Tolypodiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.