2H-1-Benzopyran, 2-(((2,4-dichlorophenyl)methoxy)methyl)octahydro-3-iodo-2-methyl-, (2alpha,3beta,4aalpha,8abeta)-
TL;DR: 2H-1-Benzopyran, 2-(((2,4-dichlorophenyl)methoxy)methyl)octahydro-3-iodo-2-methyl-, (2alpha,3beta,4aalpha,8abeta)- (CAS 101858-85-9) is a chemical compound with molecular formula C18H23Cl2IO2 and molecular weight 468.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4aS,8aR)-2-[(2,4-dichlorophenyl)methoxymethyl]-3-iodo-2-methyl-3,4,4a,5,6,7,8,8a-octahydrochromene
Also Known As: 2H-1-Benzopyran, 2-(((2,4-dichlorophenyl)methoxy)methyl)octahydro-3-iodo-2-methyl-, (2alpha,3beta,4aalpha,8abeta)-, 2-{[(2,4-Dichlorophenyl)methoxy]methyl}-3-iodo-2-methyloctahydro-2H-1-benzopyran, (2R,3R,4aS,8aR)-2-[(2,4-dichlorophenyl)methoxymethyl]-3-iodo-2-methyl-3,4,4a,5,6,7,8,8a-octahydrochromene, (2R,3R,4aS,8aR)-2-{[(2,4-Dichlorophenyl)methoxy]methyl}-3-iodo-2-methyloctahydro-2H-1-benzopyran
| Molecular Formula | C18H23Cl2IO2 |
|---|---|
| Molecular Weight | 468.01 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 468.012 |
| Heavy Atoms | 23 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 101858-85-9 |
|---|---|
| SMILES | C[C@]1([C@@H](C[C@@H]2CCCC[C@H]2O1)I)COCC3=C(C=C(C=C3)Cl)Cl |
| InChIKey | SZTDFOIFDJIGMS-FCRVUTKVSA-N |
Product Overview
2H-1-Benzopyran, 2-(((2,4-dichlorophenyl)methoxy)methyl)octahydro-3-iodo-2-methyl-, (2alpha,3beta,4aalpha,8abeta)- (CAS 101858-85-9), with molecular formula C18H23Cl2IO2 and molecular weight 468.01 g/mol. IUPAC: (2R,3R,4aS,8aR)-2-[(2,4-dichlorophenyl)methoxymethyl]-3-iodo-2-methyl-3,4,4a,5,6,7,8,8a-octahydrochromene.
Chemical Property Profile of 2H-1-Benzopyran, 2-(((2,4-dichlorophenyl)methoxy)methyl)octahydro-3-iodo-2-methyl-, (2alpha,3beta,4aalpha,8abeta)-
Property Insights of 2H-1-Benzopyran, 2-(((2,4-dichlorophenyl)methoxy)methyl)octahydro-3-iodo-2-methyl-, (2alpha,3beta,4aalpha,8abeta)-
The XLogP value of 5.8 indicates that 2H-1-Benzopyran, 2-(((2,4-dichlorophenyl)methoxy)methyl)octahydro-3-iodo-2-methyl-, (2alpha,3beta,4aalpha,8abeta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 2H-1-Benzopyran, 2-(((2,4-dichlorophenyl)methoxy)methyl)octahydro-3-iodo-2-methyl-, (2alpha,3beta,4aalpha,8abeta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran, 2-(((2,4-dichlorophenyl)methoxy)methyl)octahydro-3-iodo-2-methyl-, (2alpha,3beta,4aalpha,8abeta)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2H-1-Benzopyran, 2-(((2,4-dichlorophenyl)methoxy)methyl)octahydro-3-iodo-2-methyl-, (2alpha,3beta,4aalpha,8abeta)-?
The CAS number of 2H-1-Benzopyran, 2-(((2,4-dichlorophenyl)methoxy)methyl)octahydro-3-iodo-2-methyl-, (2alpha,3beta,4aalpha,8abeta)- is 101858-85-9.
What is the molecular formula of 2H-1-Benzopyran, 2-(((2,4-dichlorophenyl)methoxy)methyl)octahydro-3-iodo-2-methyl-, (2alpha,3beta,4aalpha,8abeta)-?
The molecular formula of 2H-1-Benzopyran, 2-(((2,4-dichlorophenyl)methoxy)methyl)octahydro-3-iodo-2-methyl-, (2alpha,3beta,4aalpha,8abeta)- is C18H23Cl2IO2.
What is the molecular weight of 2H-1-Benzopyran, 2-(((2,4-dichlorophenyl)methoxy)methyl)octahydro-3-iodo-2-methyl-, (2alpha,3beta,4aalpha,8abeta)-?
The molecular weight of 2H-1-Benzopyran, 2-(((2,4-dichlorophenyl)methoxy)methyl)octahydro-3-iodo-2-methyl-, (2alpha,3beta,4aalpha,8abeta)- is 468.01 g/mol.
Where can I buy 2H-1-Benzopyran, 2-(((2,4-dichlorophenyl)methoxy)methyl)octahydro-3-iodo-2-methyl-, (2alpha,3beta,4aalpha,8abeta)-?
You can request a quote for 2H-1-Benzopyran, 2-(((2,4-dichlorophenyl)methoxy)methyl)octahydro-3-iodo-2-methyl-, (2alpha,3beta,4aalpha,8abeta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-Benzopyran, 2-(((2,4-dichlorophenyl)methoxy)methyl)octahydro-3-iodo-2-methyl-, (2alpha,3beta,4aalpha,8abeta)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran, 2-(((2,4-dichlorophenyl)methoxy)methyl)octahydro-3-iodo-2-methyl-, (2alpha,3beta,4aalpha,8abeta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.