![methyl 5-[(1S,2R)-2-[bis(4-chlorophenyl)methoxy]cyclohexyl]pent-2-enoate structure](/static/products/1019/101976-94-7.webp)
methyl 5-[(1S,2R)-2-[bis(4-chlorophenyl)methoxy]cyclohexyl]pent-2-enoate
TL;DR: methyl 5-[(1S,2R)-2-[bis(4-chlorophenyl)methoxy]cyclohexyl]pent-2-enoate (CAS 101976-94-7) is a chemical compound with molecular formula C25H28Cl2O3 and molecular weight 446.14154 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-[(1S,2R)-2-[bis(4-chlorophenyl)methoxy]cyclohexyl]pent-2-enoate
Also Known As: 2-Pentenoic acid, 5-(2-(bis(4-chlorophenyl)methoxy)cyclohexyl)-, methyl ester, (1alpha(E),2beta)-, 2-Pentenoic acid, 5-(2-(bis(4-chlorophenyl)methoxy)cyclohexyl)-, methyl ester, (1alpha(Z),2beta)-, 2-Pentenoic acid,5-[2-[bis(4-chlorophenyl)methoxy]cyclohexyl]-, methyl ester, [1a(E),2b]- (9CI), 2-Pentenoic acid,5-[2-[bis(4-chlorophenyl)methoxy]cyclohexyl]-, methyl ester, [1a(Z),2b]- (9CI)
Technical Specifications
| Molecular Formula | C25H28Cl2O3 |
| Molecular Weight | 446.14154 g/mol |
| XLogP | 7.2 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 446.14154 Da |
| Heavy Atoms | 30 |
| Complexity | 515.0 |
| SMILES | COC(=O)C=CCC[C@@H]1CCCC[C@H]1OC(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl |
| InChIKey | GQOMWWXTYFTASA-FDDCHVKYSA-N |
Chemical Property Profile of methyl 5-[(1S,2R)-2-[bis(4-chlorophenyl)methoxy]cyclohexyl]pent-2-enoate
Property Insights of methyl 5-[(1S,2R)-2-[bis(4-chlorophenyl)methoxy]cyclohexyl]pent-2-enoate
The XLogP value of 7.2 indicates that methyl 5-[(1S,2R)-2-[bis(4-chlorophenyl)methoxy]cyclohexyl]pent-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, methyl 5-[(1S,2R)-2-[bis(4-chlorophenyl)methoxy]cyclohexyl]pent-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 5-[(1S,2R)-2-[bis(4-chlorophenyl)methoxy]cyclohexyl]pent-2-enoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of methyl 5-[(1S,2R)-2-[bis(4-chlorophenyl)methoxy]cyclohexyl]pent-2-enoate?
The CAS number of methyl 5-[(1S,2R)-2-[bis(4-chlorophenyl)methoxy]cyclohexyl]pent-2-enoate is 101976-94-7.
What is the molecular formula of methyl 5-[(1S,2R)-2-[bis(4-chlorophenyl)methoxy]cyclohexyl]pent-2-enoate?
The molecular formula of methyl 5-[(1S,2R)-2-[bis(4-chlorophenyl)methoxy]cyclohexyl]pent-2-enoate is C25H28Cl2O3.
What is the molecular weight of methyl 5-[(1S,2R)-2-[bis(4-chlorophenyl)methoxy]cyclohexyl]pent-2-enoate?
The molecular weight of methyl 5-[(1S,2R)-2-[bis(4-chlorophenyl)methoxy]cyclohexyl]pent-2-enoate is 446.14154 g/mol.
Where can I buy methyl 5-[(1S,2R)-2-[bis(4-chlorophenyl)methoxy]cyclohexyl]pent-2-enoate?
You can request a quote for methyl 5-[(1S,2R)-2-[bis(4-chlorophenyl)methoxy]cyclohexyl]pent-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 5-[(1S,2R)-2-[bis(4-chlorophenyl)methoxy]cyclohexyl]pent-2-enoate?
Yes, CoreyChem provides custom synthesis services for methyl 5-[(1S,2R)-2-[bis(4-chlorophenyl)methoxy]cyclohexyl]pent-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.