7,17-Bis(4-bromobenzoyloxy)-9-hydroxybeyerene
TL;DR: 7,17-Bis(4-bromobenzoyloxy)-9-hydroxybeyerene (CAS 15601-45-3) is a chemical compound with molecular formula C34H38Br2O5 and molecular weight 684.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4R,9R,10R,11S,13R)-11-(4-bromobenzoyl)oxy-10-hydroxy-5,5,9-trimethyl-13-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl 4-bromobenzoate
Also Known As: 7,17-BBHB, KST-1A1722, 7,17-Bis(4-bromobenzoyloxy)-9-hydroxybeyerene, (11, A,13
| Molecular Formula | C34H38Br2O5 |
|---|---|
| Molecular Weight | 684.11 g/mol |
| LogP | 9.2 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 684.1086 |
| Heavy Atoms | 41 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 15601-45-3 |
|---|---|
| SMILES | C[C@@]12CCCC([C@H]1CCC34[C@]2([C@H](C[C@](C3)(C=C4)COC(=O)C5=CC=C(C=C5)Br)OC(=O)C6=CC=C(C=C6)Br)O)(C)C |
| InChIKey | CMGSODBTNJKFBB-JEKDLXOTSA-N |
Product Overview
7,17-Bis(4-bromobenzoyloxy)-9-hydroxybeyerene (CAS 15601-45-3), with molecular formula C34H38Br2O5 and molecular weight 684.11 g/mol. IUPAC: [(4R,9R,10R,11S,13R)-11-(4-bromobenzoyl)oxy-10-hydroxy-5,5,9-trimethyl-13-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl 4-bromobenzoate.
Chemical Property Profile of 7,17-Bis(4-bromobenzoyloxy)-9-hydroxybeyerene
Property Insights of 7,17-Bis(4-bromobenzoyloxy)-9-hydroxybeyerene
The XLogP value of 9.2 indicates that 7,17-Bis(4-bromobenzoyloxy)-9-hydroxybeyerene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,17-Bis(4-bromobenzoyloxy)-9-hydroxybeyerene. Following Lipinski's Rule of Five, 7,17-Bis(4-bromobenzoyloxy)-9-hydroxybeyerene has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7,17-Bis(4-bromobenzoyloxy)-9-hydroxybeyerene?
The CAS number of 7,17-Bis(4-bromobenzoyloxy)-9-hydroxybeyerene is 15601-45-3.
What is the molecular formula of 7,17-Bis(4-bromobenzoyloxy)-9-hydroxybeyerene?
The molecular formula of 7,17-Bis(4-bromobenzoyloxy)-9-hydroxybeyerene is C34H38Br2O5.
What is the molecular weight of 7,17-Bis(4-bromobenzoyloxy)-9-hydroxybeyerene?
The molecular weight of 7,17-Bis(4-bromobenzoyloxy)-9-hydroxybeyerene is 684.11 g/mol.
Where can I buy 7,17-Bis(4-bromobenzoyloxy)-9-hydroxybeyerene?
You can request a quote for 7,17-Bis(4-bromobenzoyloxy)-9-hydroxybeyerene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,17-Bis(4-bromobenzoyloxy)-9-hydroxybeyerene?
Yes, KEHONG BIO provides custom synthesis services for 7,17-Bis(4-bromobenzoyloxy)-9-hydroxybeyerene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.