Benzoic acid, 2,4-dichloro-, 2-iodo-2-(octahydro-2H-1-benzopyran-2-yl)ethyl ester, (2alpha(S*),4aalpha,8abeta)-
TL;DR: Benzoic acid, 2,4-dichloro-, 2-iodo-2-(octahydro-2H-1-benzopyran-2-yl)ethyl ester, (2alpha(S*),4aalpha,8abeta)- (CAS 101859-02-3) is a chemical compound with molecular formula C18H21Cl2IO3 and molecular weight 481.99124 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S)-2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl]-2-iodoethyl] 2,4-dichlorobenzoate
Also Known As: Benzoic acid, 2,4-dichloro-, 2-iodo-2-(octahydro-2H-1-benzopyran-2-yl)ethyl ester, (2alpha(S*),4aalpha,8abeta)-, [(2S)-2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl]-2-iodo-ethyl] 2,4-dichlorobenzoate, [(2S)-2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl]-2-iodoethyl] 2,4-dichlorobenzoate
Technical Specifications
| Molecular Formula | C18H21Cl2IO3 |
| Molecular Weight | 481.99124 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.99124 Da |
| Heavy Atoms | 24 |
| Complexity | 436.0 |
| SMILES | C1CC[C@@H]2[C@@H](C1)CCC(O2)[C@H](COC(=O)C3=C(C=C(C=C3)Cl)Cl)I |
| InChIKey | BLZYFWBVILQTHG-AQWYCLHESA-N |
Chemical Property Profile of Benzoic acid, 2,4-dichloro-, 2-iodo-2-(octahydro-2H-1-benzopyran-2-yl)ethyl ester, (2alpha(S*),4aalpha,8abeta)-
Property Insights of Benzoic acid, 2,4-dichloro-, 2-iodo-2-(octahydro-2H-1-benzopyran-2-yl)ethyl ester, (2alpha(S*),4aalpha,8abeta)-
The XLogP value of 6.2 indicates that Benzoic acid, 2,4-dichloro-, 2-iodo-2-(octahydro-2H-1-benzopyran-2-yl)ethyl ester, (2alpha(S*),4aalpha,8abeta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Benzoic acid, 2,4-dichloro-, 2-iodo-2-(octahydro-2H-1-benzopyran-2-yl)ethyl ester, (2alpha(S*),4aalpha,8abeta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2,4-dichloro-, 2-iodo-2-(octahydro-2H-1-benzopyran-2-yl)ethyl ester, (2alpha(S*),4aalpha,8abeta)- 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 Benzoic acid, 2,4-dichloro-, 2-iodo-2-(octahydro-2H-1-benzopyran-2-yl)ethyl ester, (2alpha(S*),4aalpha,8abeta)-?
The CAS number of Benzoic acid, 2,4-dichloro-, 2-iodo-2-(octahydro-2H-1-benzopyran-2-yl)ethyl ester, (2alpha(S*),4aalpha,8abeta)- is 101859-02-3.
What is the molecular formula of Benzoic acid, 2,4-dichloro-, 2-iodo-2-(octahydro-2H-1-benzopyran-2-yl)ethyl ester, (2alpha(S*),4aalpha,8abeta)-?
The molecular formula of Benzoic acid, 2,4-dichloro-, 2-iodo-2-(octahydro-2H-1-benzopyran-2-yl)ethyl ester, (2alpha(S*),4aalpha,8abeta)- is C18H21Cl2IO3.
What is the molecular weight of Benzoic acid, 2,4-dichloro-, 2-iodo-2-(octahydro-2H-1-benzopyran-2-yl)ethyl ester, (2alpha(S*),4aalpha,8abeta)-?
The molecular weight of Benzoic acid, 2,4-dichloro-, 2-iodo-2-(octahydro-2H-1-benzopyran-2-yl)ethyl ester, (2alpha(S*),4aalpha,8abeta)- is 481.99124 g/mol.
Where can I buy Benzoic acid, 2,4-dichloro-, 2-iodo-2-(octahydro-2H-1-benzopyran-2-yl)ethyl ester, (2alpha(S*),4aalpha,8abeta)-?
You can request a quote for Benzoic acid, 2,4-dichloro-, 2-iodo-2-(octahydro-2H-1-benzopyran-2-yl)ethyl ester, (2alpha(S*),4aalpha,8abeta)- 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-iodo-2-(octahydro-2H-1-benzopyran-2-yl)ethyl ester, (2alpha(S*),4aalpha,8abeta)-?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2,4-dichloro-, 2-iodo-2-(octahydro-2H-1-benzopyran-2-yl)ethyl ester, (2alpha(S*),4aalpha,8abeta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.