Benzoic acid, 2,4-dichloro-, 2-(octahydro-2-hydroxy-2H-1-benzopyran-2-yl)ethyl ester, (2alpha,4abeta,8aalpha)-
TL;DR: Benzoic acid, 2,4-dichloro-, 2-(octahydro-2-hydroxy-2H-1-benzopyran-2-yl)ethyl ester, (2alpha,4abeta,8aalpha)- (CAS 101859-00-1) is a chemical compound with molecular formula C18H22Cl2O4 and molecular weight 372.0895 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2R,4aR,8aS)-2-hydroxy-3,4,4a,5,6,7,8,8a-octahydrochromen-2-yl]ethyl 2,4-dichlorobenzoate
Also Known As: Benzoic acid, 2,4-dichloro-, 2-(octahydro-2-hydroxy-2H-1-benzopyran-2-yl)ethyl ester, (2alpha,4abeta,8aalpha)-, 2-[(2R,4aR,8aS)-2-hydroxy-3,4,4a,5,6,7,8,8a-octahydrochromen-2-yl]ethyl 2,4-dichlorobenzoate, 2-[(2R,4aR,8aS)-2-Hydroxyoctahydro-2H-1-benzopyran-2-yl]ethyl 2,4-dichlorobenzoate
Technical Specifications
| Molecular Formula | C18H22Cl2O4 |
| Molecular Weight | 372.0895 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.0895 Da |
| Heavy Atoms | 24 |
| Complexity | 447.0 |
| SMILES | C1CC[C@H]2[C@H](C1)CC[C@@](O2)(CCOC(=O)C3=C(C=C(C=C3)Cl)Cl)O |
| InChIKey | MHUFUAJDDSAYJX-PZPSRYQVSA-N |
Chemical Property Profile of Benzoic acid, 2,4-dichloro-, 2-(octahydro-2-hydroxy-2H-1-benzopyran-2-yl)ethyl ester, (2alpha,4abeta,8aalpha)-
Property Insights of Benzoic acid, 2,4-dichloro-, 2-(octahydro-2-hydroxy-2H-1-benzopyran-2-yl)ethyl ester, (2alpha,4abeta,8aalpha)-
The XLogP value of 4.7 indicates that Benzoic acid, 2,4-dichloro-, 2-(octahydro-2-hydroxy-2H-1-benzopyran-2-yl)ethyl ester, (2alpha,4abeta,8aalpha)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Benzoic acid, 2,4-dichloro-, 2-(octahydro-2-hydroxy-2H-1-benzopyran-2-yl)ethyl ester, (2alpha,4abeta,8aalpha)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2,4-dichloro-, 2-(octahydro-2-hydroxy-2H-1-benzopyran-2-yl)ethyl ester, (2alpha,4abeta,8aalpha)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2,4-dichloro-, 2-(octahydro-2-hydroxy-2H-1-benzopyran-2-yl)ethyl ester, (2alpha,4abeta,8aalpha)-?
The CAS number of Benzoic acid, 2,4-dichloro-, 2-(octahydro-2-hydroxy-2H-1-benzopyran-2-yl)ethyl ester, (2alpha,4abeta,8aalpha)- is 101859-00-1.
What is the molecular formula of Benzoic acid, 2,4-dichloro-, 2-(octahydro-2-hydroxy-2H-1-benzopyran-2-yl)ethyl ester, (2alpha,4abeta,8aalpha)-?
The molecular formula of Benzoic acid, 2,4-dichloro-, 2-(octahydro-2-hydroxy-2H-1-benzopyran-2-yl)ethyl ester, (2alpha,4abeta,8aalpha)- is C18H22Cl2O4.
What is the molecular weight of Benzoic acid, 2,4-dichloro-, 2-(octahydro-2-hydroxy-2H-1-benzopyran-2-yl)ethyl ester, (2alpha,4abeta,8aalpha)-?
The molecular weight of Benzoic acid, 2,4-dichloro-, 2-(octahydro-2-hydroxy-2H-1-benzopyran-2-yl)ethyl ester, (2alpha,4abeta,8aalpha)- is 372.0895 g/mol.
Where can I buy Benzoic acid, 2,4-dichloro-, 2-(octahydro-2-hydroxy-2H-1-benzopyran-2-yl)ethyl ester, (2alpha,4abeta,8aalpha)-?
You can request a quote for Benzoic acid, 2,4-dichloro-, 2-(octahydro-2-hydroxy-2H-1-benzopyran-2-yl)ethyl ester, (2alpha,4abeta,8aalpha)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2,4-dichloro-, 2-(octahydro-2-hydroxy-2H-1-benzopyran-2-yl)ethyl ester, (2alpha,4abeta,8aalpha)-?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2,4-dichloro-, 2-(octahydro-2-hydroxy-2H-1-benzopyran-2-yl)ethyl ester, (2alpha,4abeta,8aalpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.