Methyl 6alpha-bromo-7-oxo-O-methylpodocarpate
TL;DR: Methyl 6alpha-bromo-7-oxo-O-methylpodocarpate (CAS 1045-54-1) is a chemical compound with molecular formula C19H23BrO4 and molecular weight 394.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,4aS,10R)-10-bromo-6-methoxy-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate
Also Known As: Methyl 6alpha-bromo-7-oxo-O-methylpodocarpate, Methyl 6alpha-bromo-12-methoxy-7-oxopodocarpa-8,11,13-trien-16-oate, Podocarpa-8,11,13-trien-16-oic acid, 6alpha-bromo-12-methoxy-7-oxo-, methyl ester, Methyl 6-bromo-12-methoxy-7-oxopodocarpa-8,11,13-trien-15-oate, Methyl (5xi)-6alpha-bromo-12-methoxy-7-oxopodocarpa-8,11,13-trien-16-oate
| Molecular Formula | C19H23BrO4 |
|---|---|
| Molecular Weight | 394.08 g/mol |
| LogP | 3.8921 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 394.07797 |
| Heavy Atoms | 24 |
| Complexity | 700.60724 |
Chemical Identifiers
| CAS Number | 1045-54-1 |
|---|---|
| SMILES | C[C@]12CCC[C@](C1[C@H](C(=O)C3=C2C=C(C=C3)OC)Br)(C)C(=O)OC |
Product Overview
Methyl 6alpha-bromo-7-oxo-O-methylpodocarpate (CAS 1045-54-1), with molecular formula C19H23BrO4 and molecular weight 394.08 g/mol. IUPAC: methyl (1S,4aS,10R)-10-bromo-6-methoxy-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate.
Chemical Property Profile of Methyl 6alpha-bromo-7-oxo-O-methylpodocarpate
Property Insights of Methyl 6alpha-bromo-7-oxo-O-methylpodocarpate
The XLogP value of 3.8921 indicates that Methyl 6alpha-bromo-7-oxo-O-methylpodocarpate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 6alpha-bromo-7-oxo-O-methylpodocarpate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 6alpha-bromo-7-oxo-O-methylpodocarpate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 6alpha-bromo-7-oxo-O-methylpodocarpate?
The CAS number of Methyl 6alpha-bromo-7-oxo-O-methylpodocarpate is 1045-54-1.
What is the molecular formula of Methyl 6alpha-bromo-7-oxo-O-methylpodocarpate?
The molecular formula of Methyl 6alpha-bromo-7-oxo-O-methylpodocarpate is C19H23BrO4.
What is the molecular weight of Methyl 6alpha-bromo-7-oxo-O-methylpodocarpate?
The molecular weight of Methyl 6alpha-bromo-7-oxo-O-methylpodocarpate is 394.08 g/mol.
Where can I buy Methyl 6alpha-bromo-7-oxo-O-methylpodocarpate?
You can request a quote for Methyl 6alpha-bromo-7-oxo-O-methylpodocarpate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6alpha-bromo-7-oxo-O-methylpodocarpate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6alpha-bromo-7-oxo-O-methylpodocarpate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.