17-(4-Bromobenzoyloxy)-9,11-epoxy-7-hydroxybeyerene
TL;DR: 17-(4-Bromobenzoyloxy)-9,11-epoxy-7-hydroxybeyerene (CAS 134513-16-9) is a chemical compound with molecular formula C27H33BrO4 and molecular weight 500.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,4R,9R,10R,12S,14R)-2-hydroxy-5,5,9-trimethyl-11-oxapentacyclo[12.2.1.01,10.04,9.010,12]heptadec-15-en-14-yl]methyl 4-bromobenzoate
Also Known As: 17-Bbehb, 17-(4-Bromobenzoyloxy)-9,11-epoxy-7-hydroxybeyerene, 17-(4-Bromobenzoyloxy)-9beta,11beta-epoxy-7beta-hydroxy-ent-beyerene, 7-Hydroxy-9,11-epoxybeyer-15-en-17-yl 4-bromobenzoate, 17-(4-bromobenzoyloxy)-9 beta,11 beta-epoxy-7 beta-hydroxy-ent-beyerene
| Molecular Formula | C27H33BrO4 |
|---|---|
| Molecular Weight | 500.16 g/mol |
| LogP | 5.6771 |
| Topological Polar Surface Area | 59.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 500.15622 |
| Heavy Atoms | 32 |
| Complexity | 1001.41364 |
Chemical Identifiers
| CAS Number | 134513-16-9 |
|---|---|
| SMILES | C[C@@]12CCCC([C@H]1C[C@@H](C34[C@@]25[C@@H](O5)C[C@](C3)(C=C4)COC(=O)C6=CC=C(C=C6)Br)O)(C)C |
Product Overview
17-(4-Bromobenzoyloxy)-9,11-epoxy-7-hydroxybeyerene (CAS 134513-16-9), with molecular formula C27H33BrO4 and molecular weight 500.16 g/mol. IUPAC: [(2S,4R,9R,10R,12S,14R)-2-hydroxy-5,5,9-trimethyl-11-oxapentacyclo[12.2.1.01,10.04,9.010,12]heptadec-15-en-14-yl]methyl 4-bromobenzoate.
Chemical Property Profile of 17-(4-Bromobenzoyloxy)-9,11-epoxy-7-hydroxybeyerene
Property Insights of 17-(4-Bromobenzoyloxy)-9,11-epoxy-7-hydroxybeyerene
The XLogP value of 5.6771 indicates that 17-(4-Bromobenzoyloxy)-9,11-epoxy-7-hydroxybeyerene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.06 Ų, 17-(4-Bromobenzoyloxy)-9,11-epoxy-7-hydroxybeyerene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-(4-Bromobenzoyloxy)-9,11-epoxy-7-hydroxybeyerene has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 17-(4-Bromobenzoyloxy)-9,11-epoxy-7-hydroxybeyerene?
The CAS number of 17-(4-Bromobenzoyloxy)-9,11-epoxy-7-hydroxybeyerene is 134513-16-9.
What is the molecular formula of 17-(4-Bromobenzoyloxy)-9,11-epoxy-7-hydroxybeyerene?
The molecular formula of 17-(4-Bromobenzoyloxy)-9,11-epoxy-7-hydroxybeyerene is C27H33BrO4.
What is the molecular weight of 17-(4-Bromobenzoyloxy)-9,11-epoxy-7-hydroxybeyerene?
The molecular weight of 17-(4-Bromobenzoyloxy)-9,11-epoxy-7-hydroxybeyerene is 500.16 g/mol.
Where can I buy 17-(4-Bromobenzoyloxy)-9,11-epoxy-7-hydroxybeyerene?
You can request a quote for 17-(4-Bromobenzoyloxy)-9,11-epoxy-7-hydroxybeyerene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-(4-Bromobenzoyloxy)-9,11-epoxy-7-hydroxybeyerene?
Yes, KEHONG BIO provides custom synthesis services for 17-(4-Bromobenzoyloxy)-9,11-epoxy-7-hydroxybeyerene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.