methyl 6,8-dichloro-7-(1-methoxy-1-oxopropan-2-yl)-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate
TL;DR: methyl 6,8-dichloro-7-(1-methoxy-1-oxopropan-2-yl)-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate (CAS 86547-18-4) is a chemical compound with molecular formula C22H26Cl2O5 and molecular weight 440.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6,8-dichloro-7-(1-methoxy-1-oxopropan-2-yl)-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate
Also Known As: methyl 6,8-dichloro-7-(1-methoxy-1-oxopropan-2-yl)-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate, Dimethyl 12,14-dichloro-2-oxoabieta-8(14),9(11),12-triene-16,18-dioate, 2-Phenanthreneacetic acid, 1,3-dichloro-4b,5,6,7,8,8a,9,10-octahydro-8- (methoxycarbonyl)-alpha,4b,8-trimethyl-6-oxo-, methyl ester
| Molecular Formula | C22H26Cl2O5 |
|---|---|
| Molecular Weight | 440.12 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.11572 |
| Heavy Atoms | 29 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 86547-18-4 |
|---|---|
| SMILES | CC(C1=C(C=C2C(=C1Cl)CCC3C2(CC(=O)CC3(C)C(=O)OC)C)Cl)C(=O)OC |
| InChIKey | JSRFSIQVXFVLJN-UHFFFAOYSA-N |
Product Overview
methyl 6,8-dichloro-7-(1-methoxy-1-oxopropan-2-yl)-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate (CAS 86547-18-4), with molecular formula C22H26Cl2O5 and molecular weight 440.12 g/mol. IUPAC: methyl 6,8-dichloro-7-(1-methoxy-1-oxopropan-2-yl)-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate.
Chemical Property Profile of methyl 6,8-dichloro-7-(1-methoxy-1-oxopropan-2-yl)-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate
Property Insights of methyl 6,8-dichloro-7-(1-methoxy-1-oxopropan-2-yl)-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate
The XLogP value of 4.6 indicates that methyl 6,8-dichloro-7-(1-methoxy-1-oxopropan-2-yl)-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6,8-dichloro-7-(1-methoxy-1-oxopropan-2-yl)-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate. Following Lipinski's Rule of Five, methyl 6,8-dichloro-7-(1-methoxy-1-oxopropan-2-yl)-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate has 0 hydrogen bond donor(s) and 5 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 6,8-dichloro-7-(1-methoxy-1-oxopropan-2-yl)-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate?
The CAS number of methyl 6,8-dichloro-7-(1-methoxy-1-oxopropan-2-yl)-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate is 86547-18-4.
What is the molecular formula of methyl 6,8-dichloro-7-(1-methoxy-1-oxopropan-2-yl)-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate?
The molecular formula of methyl 6,8-dichloro-7-(1-methoxy-1-oxopropan-2-yl)-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate is C22H26Cl2O5.
What is the molecular weight of methyl 6,8-dichloro-7-(1-methoxy-1-oxopropan-2-yl)-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate?
The molecular weight of methyl 6,8-dichloro-7-(1-methoxy-1-oxopropan-2-yl)-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate is 440.12 g/mol.
Where can I buy methyl 6,8-dichloro-7-(1-methoxy-1-oxopropan-2-yl)-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate?
You can request a quote for methyl 6,8-dichloro-7-(1-methoxy-1-oxopropan-2-yl)-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 6,8-dichloro-7-(1-methoxy-1-oxopropan-2-yl)-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6,8-dichloro-7-(1-methoxy-1-oxopropan-2-yl)-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.