12-O-Tiglyl-phorbol-13-butyrate
TL;DR: 12-O-Tiglyl-phorbol-13-butyrate (CAS 37415-55-7) is a chemical compound with molecular formula C29H40O8 and molecular weight 516.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,6R,10S,15R)-13-butanoyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (E)-2-methylbut-2-enoate
Also Known As: 12-O-Tiglyl-phorbol-13-butyrate, Phorbol-12-O-tiglyl-13-butyrate, 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-4a-alpha,7b-alpha,9-beta,9a-alpha-tetrahydroxy-3-hydroxymethyl-1,1,6,8-alpha-tetramethyl-, 9-((E-)-2-methyl-2-butenoate), 9a-butyrate
| Molecular Formula | C29H40O8 |
|---|---|
| Molecular Weight | 516.27 g/mol |
| LogP | 2.7982 |
| Topological Polar Surface Area | 130.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 516.27234 |
| Heavy Atoms | 37 |
| Complexity | 1114.9406 |
Chemical Identifiers
| CAS Number | 37415-55-7 |
|---|---|
| SMILES | CCCC(=O)OC12C([C@H]([C@]3([C@H](C1C2(C)C)C=C(C[C@]4([C@H]3C=C(C4=O)C)O)CO)O)C)OC(=O)/C(=C/C)/C |
Product Overview
12-O-Tiglyl-phorbol-13-butyrate (CAS 37415-55-7), with molecular formula C29H40O8 and molecular weight 516.27 g/mol. IUPAC: [(1S,2S,6R,10S,15R)-13-butanoyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (E)-2-methylbut-2-enoate.
Chemical Property Profile of 12-O-Tiglyl-phorbol-13-butyrate
Property Insights of 12-O-Tiglyl-phorbol-13-butyrate
The XLogP value of 2.7982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-O-Tiglyl-phorbol-13-butyrate. The TPSA of 130.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-O-Tiglyl-phorbol-13-butyrate. Following Lipinski's Rule of Five, 12-O-Tiglyl-phorbol-13-butyrate 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 12-O-Tiglyl-phorbol-13-butyrate?
The CAS number of 12-O-Tiglyl-phorbol-13-butyrate is 37415-55-7.
What is the molecular formula of 12-O-Tiglyl-phorbol-13-butyrate?
The molecular formula of 12-O-Tiglyl-phorbol-13-butyrate is C29H40O8.
What is the molecular weight of 12-O-Tiglyl-phorbol-13-butyrate?
The molecular weight of 12-O-Tiglyl-phorbol-13-butyrate is 516.27 g/mol.
Where can I buy 12-O-Tiglyl-phorbol-13-butyrate?
You can request a quote for 12-O-Tiglyl-phorbol-13-butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-O-Tiglyl-phorbol-13-butyrate?
Yes, KEHONG BIO provides custom synthesis services for 12-O-Tiglyl-phorbol-13-butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.