12-Deoxyphorbol-13-phenylacetate-20-(3-chloro-4-allyloxyphenylacetate)
TL;DR: 12-Deoxyphorbol-13-phenylacetate-20-(3-chloro-4-allyloxyphenylacetate) (CAS 74513-80-7) is a chemical compound with molecular formula C39H43ClO8 and molecular weight 674.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,6R,10S,11R,13S,15R)-8-[[2-(3-chloro-4-prop-2-enoxyphenyl)acetyl]oxymethyl]-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-phenylacetate
Also Known As: 12-Deoxyphorbol-13-phenylacetate-20-(3-chloro-4-allyloxyphenylacetate), 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-beta,7b-alpha,9a-alpha-trihydroxy-3-(hydroxymethyl)-1,1,6,8-alpha-tetramethyl-, 3-(3-chloro-4-allyloxyphenylacetate) 9a-phenylacetate, {(1aR,1bS,4aR,7aS,7bR,8R,9aS)-4a,7b-Dihydroxy-1,1,6,8-tetramethyl-5-oxo-9a-[(phenylacetyl)oxy]-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-3-yl}methyl {3-chloro-4-[(prop-2-en-1-yl)oxy]phenyl}acetate
| Molecular Formula | C39H43ClO8 |
|---|---|
| Molecular Weight | 674.26 g/mol |
| LogP | 5.7647 |
| Topological Polar Surface Area | 119.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 674.26465 |
| Heavy Atoms | 48 |
| Complexity | 1711.3151 |
Chemical Identifiers
| CAS Number | 74513-80-7 |
|---|---|
| SMILES | C[C@@H]1C[C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)COC(=O)CC5=CC(=C(C=C5)OCC=C)Cl)O)C)O)OC(=O)CC6=CC=CC=C6 |
Product Overview
12-Deoxyphorbol-13-phenylacetate-20-(3-chloro-4-allyloxyphenylacetate) (CAS 74513-80-7), with molecular formula C39H43ClO8 and molecular weight 674.26 g/mol. IUPAC: [(1R,2S,6R,10S,11R,13S,15R)-8-[[2-(3-chloro-4-prop-2-enoxyphenyl)acetyl]oxymethyl]-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-phenylacetate.
Chemical Property Profile of 12-Deoxyphorbol-13-phenylacetate-20-(3-chloro-4-allyloxyphenylacetate)
Property Insights of 12-Deoxyphorbol-13-phenylacetate-20-(3-chloro-4-allyloxyphenylacetate)
The XLogP value of 5.7647 indicates that 12-Deoxyphorbol-13-phenylacetate-20-(3-chloro-4-allyloxyphenylacetate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-Deoxyphorbol-13-phenylacetate-20-(3-chloro-4-allyloxyphenylacetate). Following Lipinski's Rule of Five, 12-Deoxyphorbol-13-phenylacetate-20-(3-chloro-4-allyloxyphenylacetate) has 2 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-Deoxyphorbol-13-phenylacetate-20-(3-chloro-4-allyloxyphenylacetate)?
The CAS number of 12-Deoxyphorbol-13-phenylacetate-20-(3-chloro-4-allyloxyphenylacetate) is 74513-80-7.
What is the molecular formula of 12-Deoxyphorbol-13-phenylacetate-20-(3-chloro-4-allyloxyphenylacetate)?
The molecular formula of 12-Deoxyphorbol-13-phenylacetate-20-(3-chloro-4-allyloxyphenylacetate) is C39H43ClO8.
What is the molecular weight of 12-Deoxyphorbol-13-phenylacetate-20-(3-chloro-4-allyloxyphenylacetate)?
The molecular weight of 12-Deoxyphorbol-13-phenylacetate-20-(3-chloro-4-allyloxyphenylacetate) is 674.26 g/mol.
Where can I buy 12-Deoxyphorbol-13-phenylacetate-20-(3-chloro-4-allyloxyphenylacetate)?
You can request a quote for 12-Deoxyphorbol-13-phenylacetate-20-(3-chloro-4-allyloxyphenylacetate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Deoxyphorbol-13-phenylacetate-20-(3-chloro-4-allyloxyphenylacetate)?
Yes, KEHONG BIO provides custom synthesis services for 12-Deoxyphorbol-13-phenylacetate-20-(3-chloro-4-allyloxyphenylacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.