Taxuspine D
TL;DR: Taxuspine D (CAS 166990-12-1) is a chemical compound with molecular formula C39H48O13 and molecular weight 724.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,3R,5S,7S,8S,9R,10S,11S)-2,7,9,10,13-pentaacetyloxy-11-hydroxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-12-enyl] (E)-3-phenylprop-2-enoate
Also Known As: Taxuspine D, [(1R,2R,3R,5S,7S,8S,9R,10S,11S)-2,7,9,10,13-pentaacetyloxy-11-hydroxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-12-enyl] (E)-3-phenylprop-2-enoate, ((1R,2R,3R,5S,7S,8S,9R,10S,11S)-2,7,9,10,13-pentaacetyloxy-11-hydroxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo(9.3.1.03,8)pentadec-12-enyl) (E)-3-phenylprop-2-enoate, (1R,2R,3R,5S,7S,8S,9R,10S,11S)-2,7,9,10,13-pentakis(acetyloxy)-11-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-12-en-5-yl 3-phenylprop-2-enoate, 11-Hydroxy-2alpha,7beta,9alpha,10beta,13-pentaacetoxy-5alpha-(3-phenylacryloyloxy)taxane-4(20),12-diene
| Molecular Formula | C39H48O13 |
|---|---|
| Molecular Weight | 724.31 g/mol |
| LogP | 4.5487 |
| Topological Polar Surface Area | 178.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 724.3095 |
| Heavy Atoms | 52 |
| Complexity | 1690.0144 |
Chemical Identifiers
| CAS Number | 166990-12-1 |
|---|---|
| SMILES | CC1=C(C[C@H]2[C@H]([C@@H]3C(=C)[C@H](C[C@@H]([C@]3([C@H]([C@@H]([C@@]1(C2(C)C)O)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)/C=C/C4=CC=CC=C4)OC(=O)C)OC(=O)C |
Product Overview
Taxuspine D (CAS 166990-12-1), with molecular formula C39H48O13 and molecular weight 724.31 g/mol. IUPAC: [(1R,2R,3R,5S,7S,8S,9R,10S,11S)-2,7,9,10,13-pentaacetyloxy-11-hydroxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-12-enyl] (E)-3-phenylprop-2-enoate.
Chemical Property Profile of Taxuspine D
Property Insights of Taxuspine D
The XLogP value of 4.5487 indicates that Taxuspine D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 178.03 Ų indicates high polarity, suggesting Taxuspine D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Taxuspine D has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Taxuspine D?
The CAS number of Taxuspine D is 166990-12-1.
What is the molecular formula of Taxuspine D?
The molecular formula of Taxuspine D is C39H48O13.
What is the molecular weight of Taxuspine D?
The molecular weight of Taxuspine D is 724.31 g/mol.
Where can I buy Taxuspine D?
You can request a quote for Taxuspine D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Taxuspine D?
Yes, KEHONG BIO provides custom synthesis services for Taxuspine D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.