12-Deoxyphorbol-13-dodecenoate-20-(4-bromobenzoate)
TL;DR: 12-Deoxyphorbol-13-dodecenoate-20-(4-bromobenzoate) (CAS 74486-13-8) is a chemical compound with molecular formula C39H51BrO7 and molecular weight 710.28 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)-13-[(E)-dodec-2-enoyl]oxy-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl 4-bromobenzoate
Also Known As: 12-Deoxyphorbol-13-dodecenoate-20-(4-bromobenzoate), 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-(4-bromobenzoate) 9a-dodecenoate
| Molecular Formula | C39H51BrO7 |
|---|---|
| Molecular Weight | 710.28 g/mol |
| LogP | 7.8343 |
| Topological Polar Surface Area | 110.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 710.2818 |
| Heavy Atoms | 47 |
| Complexity | 1457.7015 |
Chemical Identifiers
| CAS Number | 74486-13-8 |
|---|---|
| SMILES | CCCCCCCCC/C=C/C(=O)O[C@@]12C[C@H]([C@]3([C@H]([C@@H]1C2(C)C)C=C(C[C@]4([C@H]3C=C(C4=O)C)O)COC(=O)C5=CC=C(C=C5)Br)O)C |
Product Overview
12-Deoxyphorbol-13-dodecenoate-20-(4-bromobenzoate) (CAS 74486-13-8), with molecular formula C39H51BrO7 and molecular weight 710.28 g/mol. IUPAC: [(1R,2S,6R,10S,11R,13S,15R)-13-[(E)-dodec-2-enoyl]oxy-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl 4-bromobenzoate.
Chemical Property Profile of 12-Deoxyphorbol-13-dodecenoate-20-(4-bromobenzoate)
Property Insights of 12-Deoxyphorbol-13-dodecenoate-20-(4-bromobenzoate)
The XLogP value of 7.8343 indicates that 12-Deoxyphorbol-13-dodecenoate-20-(4-bromobenzoate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-Deoxyphorbol-13-dodecenoate-20-(4-bromobenzoate). Following Lipinski's Rule of Five, 12-Deoxyphorbol-13-dodecenoate-20-(4-bromobenzoate) has 2 hydrogen bond donor(s) and 7 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-dodecenoate-20-(4-bromobenzoate)?
The CAS number of 12-Deoxyphorbol-13-dodecenoate-20-(4-bromobenzoate) is 74486-13-8.
What is the molecular formula of 12-Deoxyphorbol-13-dodecenoate-20-(4-bromobenzoate)?
The molecular formula of 12-Deoxyphorbol-13-dodecenoate-20-(4-bromobenzoate) is C39H51BrO7.
What is the molecular weight of 12-Deoxyphorbol-13-dodecenoate-20-(4-bromobenzoate)?
The molecular weight of 12-Deoxyphorbol-13-dodecenoate-20-(4-bromobenzoate) is 710.28 g/mol.
Where can I buy 12-Deoxyphorbol-13-dodecenoate-20-(4-bromobenzoate)?
You can request a quote for 12-Deoxyphorbol-13-dodecenoate-20-(4-bromobenzoate) 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-dodecenoate-20-(4-bromobenzoate)?
Yes, KEHONG BIO provides custom synthesis services for 12-Deoxyphorbol-13-dodecenoate-20-(4-bromobenzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.