14-O-Acetylbrowniine
TL;DR: 14-O-Acetylbrowniine (CAS 65601-04-9) is a chemical compound with molecular formula C27H43NO8 and molecular weight 509.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
Also Known As: Acetylbrowniine, 14-O-Acetylbrowniine, 14-Acetylbrowniine, Browniine 14-acetate, Browniine 14-O-acetate
| Molecular Formula | C27H43NO8 |
|---|---|
| Molecular Weight | 509.30 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 509.29886 |
| Heavy Atoms | 36 |
| Complexity | 918.0 |
Chemical Identifiers
| CAS Number | 65601-04-9 |
|---|---|
| SMILES | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@](C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC(=O)C)OC)O)O)OC)OC)COC |
| InChIKey | BQMFTYVYHRJVMQ-VEUWJJFUSA-N |
Product Overview
14-O-Acetylbrowniine (CAS 65601-04-9), with molecular formula C27H43NO8 and molecular weight 509.30 g/mol. IUPAC: [(1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate.
Chemical Property Profile of 14-O-Acetylbrowniine
Property Insights of 14-O-Acetylbrowniine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 14-O-Acetylbrowniine. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 14-O-Acetylbrowniine. Following Lipinski's Rule of Five, 14-O-Acetylbrowniine has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 14-O-Acetylbrowniine?
The CAS number of 14-O-Acetylbrowniine is 65601-04-9.
What is the molecular formula of 14-O-Acetylbrowniine?
The molecular formula of 14-O-Acetylbrowniine is C27H43NO8.
What is the molecular weight of 14-O-Acetylbrowniine?
The molecular weight of 14-O-Acetylbrowniine is 509.30 g/mol.
Where can I buy 14-O-Acetylbrowniine?
You can request a quote for 14-O-Acetylbrowniine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-O-Acetylbrowniine?
Yes, KEHONG BIO provides custom synthesis services for 14-O-Acetylbrowniine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.