2H-1-Benzopyran, octahydro-3-iodo-2,2-dimethyl-, (3alpha,4abeta,8aalpha)-
TL;DR: 2H-1-Benzopyran, octahydro-3-iodo-2,2-dimethyl-, (3alpha,4abeta,8aalpha)- (CAS 101858-83-7) is a chemical compound with molecular formula C11H19IO and molecular weight 294.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4aR,8aS)-3-iodo-2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromene
Also Known As: 2H-1-Benzopyran, octahydro-3-iodo-2,2-dimethyl-, (3alpha,4abeta,8aalpha)-, (3S,4aR,8aS)-3-iodo-2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromene, (3S,4aR,8aS)-3-Iodo-2,2-dimethyloctahydro-2H-1-benzopyran
| Molecular Formula | C11H19IO |
|---|---|
| Molecular Weight | 294.05 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 294.04807 |
| Heavy Atoms | 13 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 101858-83-7 |
|---|---|
| SMILES | CC1([C@H](C[C@H]2CCCC[C@@H]2O1)I)C |
| InChIKey | FQLMDBLLBFKWMI-UTLUCORTSA-N |
Product Overview
2H-1-Benzopyran, octahydro-3-iodo-2,2-dimethyl-, (3alpha,4abeta,8aalpha)- (CAS 101858-83-7), with molecular formula C11H19IO and molecular weight 294.05 g/mol. IUPAC: (3S,4aR,8aS)-3-iodo-2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromene.
Chemical Property Profile of 2H-1-Benzopyran, octahydro-3-iodo-2,2-dimethyl-, (3alpha,4abeta,8aalpha)-
Property Insights of 2H-1-Benzopyran, octahydro-3-iodo-2,2-dimethyl-, (3alpha,4abeta,8aalpha)-
The XLogP value of 3.5 indicates that 2H-1-Benzopyran, octahydro-3-iodo-2,2-dimethyl-, (3alpha,4abeta,8aalpha)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 2H-1-Benzopyran, octahydro-3-iodo-2,2-dimethyl-, (3alpha,4abeta,8aalpha)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran, octahydro-3-iodo-2,2-dimethyl-, (3alpha,4abeta,8aalpha)- has 0 hydrogen bond donor(s) and 1 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 2H-1-Benzopyran, octahydro-3-iodo-2,2-dimethyl-, (3alpha,4abeta,8aalpha)-?
The CAS number of 2H-1-Benzopyran, octahydro-3-iodo-2,2-dimethyl-, (3alpha,4abeta,8aalpha)- is 101858-83-7.
What is the molecular formula of 2H-1-Benzopyran, octahydro-3-iodo-2,2-dimethyl-, (3alpha,4abeta,8aalpha)-?
The molecular formula of 2H-1-Benzopyran, octahydro-3-iodo-2,2-dimethyl-, (3alpha,4abeta,8aalpha)- is C11H19IO.
What is the molecular weight of 2H-1-Benzopyran, octahydro-3-iodo-2,2-dimethyl-, (3alpha,4abeta,8aalpha)-?
The molecular weight of 2H-1-Benzopyran, octahydro-3-iodo-2,2-dimethyl-, (3alpha,4abeta,8aalpha)- is 294.05 g/mol.
Where can I buy 2H-1-Benzopyran, octahydro-3-iodo-2,2-dimethyl-, (3alpha,4abeta,8aalpha)-?
You can request a quote for 2H-1-Benzopyran, octahydro-3-iodo-2,2-dimethyl-, (3alpha,4abeta,8aalpha)- 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, octahydro-3-iodo-2,2-dimethyl-, (3alpha,4abeta,8aalpha)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran, octahydro-3-iodo-2,2-dimethyl-, (3alpha,4abeta,8aalpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.