Phorbol caprate, (+)-(S)-2-methylbutyrate
TL;DR: Phorbol caprate, (+)-(S)-2-methylbutyrate (CAS 63040-43-7) is a chemical compound with molecular formula C35H54O8 and molecular weight 602.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,6R,10S,11R,13S,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-14-(2-methylbutanoyloxy)-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate
Also Known As: Phorbol caprate, (+)-(S)-2-methylbutyrate, Phorbol caprate (+)-(S)-2-methylbutyrate, Phorbol caprate ( )-(S)-2-methylbutyrate, Phorbol monodecanoate (S)-(+)-mono(2-methylbutyrate), 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-beta,1b-alpha,4,4a,7a-beta,8,9,9a-decahydro-4a-alpha,7b-beta,9-alpha,9a-beta-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-beta-tetramethyl-, 9a-decanoate (S)-(+) 9-(2-methylbutyrate)
| Molecular Formula | C35H54O8 |
|---|---|
| Molecular Weight | 602.38 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 602.3819 |
| Heavy Atoms | 43 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 63040-43-7 |
|---|---|
| SMILES | CCCCCCCCCC(=O)O[C@@]12[C@@H](C1(C)C)[C@@H]3C=C(C[C@]4([C@H]([C@]3([C@@H](C2OC(=O)C(C)CC)C)O)C=C(C4=O)C)O)CO |
| InChIKey | NKGGSOMLYCNUJX-YOSDGEMBSA-N |
Product Overview
Phorbol caprate, (+)-(S)-2-methylbutyrate (CAS 63040-43-7), with molecular formula C35H54O8 and molecular weight 602.38 g/mol. IUPAC: [(1S,2S,6R,10S,11R,13S,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-14-(2-methylbutanoyloxy)-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate.
Chemical Property Profile of Phorbol caprate, (+)-(S)-2-methylbutyrate
Property Insights of Phorbol caprate, (+)-(S)-2-methylbutyrate
The XLogP value of 5.8 indicates that Phorbol caprate, (+)-(S)-2-methylbutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phorbol caprate, (+)-(S)-2-methylbutyrate. Following Lipinski's Rule of Five, Phorbol caprate, (+)-(S)-2-methylbutyrate has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phorbol caprate, (+)-(S)-2-methylbutyrate?
The CAS number of Phorbol caprate, (+)-(S)-2-methylbutyrate is 63040-43-7.
What is the molecular formula of Phorbol caprate, (+)-(S)-2-methylbutyrate?
The molecular formula of Phorbol caprate, (+)-(S)-2-methylbutyrate is C35H54O8.
What is the molecular weight of Phorbol caprate, (+)-(S)-2-methylbutyrate?
The molecular weight of Phorbol caprate, (+)-(S)-2-methylbutyrate is 602.38 g/mol.
Where can I buy Phorbol caprate, (+)-(S)-2-methylbutyrate?
You can request a quote for Phorbol caprate, (+)-(S)-2-methylbutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phorbol caprate, (+)-(S)-2-methylbutyrate?
Yes, KEHONG BIO provides custom synthesis services for Phorbol caprate, (+)-(S)-2-methylbutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.