1,3-Dimethyl-isochroman, 1e', 3e
TL;DR: 1,3-Dimethyl-isochroman, 1e', 3e (CAS 102249-66-1) is a chemical compound with molecular formula C11H14O and molecular weight 162.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3S)-1,3-dimethyl-3,4-dihydro-1H-isochromene
Also Known As: 1,3-dimethyl-isochroman, 1e', 3e, 2(1H)-Pyridinone,4-hydroxy-5-phenyl, Rel-(1R,3S)-1,3-dimethylisochromane, J2.773.167H, (1R,3S)-1,3-dimethyl-3,4-dihydro-1H-isochromene
| Molecular Formula | C11H14O |
|---|---|
| Molecular Weight | 162.10 g/mol |
| LogP | 2.7088 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.10446 |
| Heavy Atoms | 12 |
| Complexity | 280.08752 |
Chemical Identifiers
| CAS Number | 102249-66-1 |
|---|---|
| SMILES | C[C@H]1CC2=CC=CC=C2[C@H](O1)C |
Product Overview
1,3-Dimethyl-isochroman, 1e', 3e (CAS 102249-66-1), with molecular formula C11H14O and molecular weight 162.10 g/mol. IUPAC: (1R,3S)-1,3-dimethyl-3,4-dihydro-1H-isochromene.
Chemical Property Profile of 1,3-Dimethyl-isochroman, 1e', 3e
Property Insights of 1,3-Dimethyl-isochroman, 1e', 3e
The XLogP value of 2.7088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-isochroman, 1e', 3e. With a topological polar surface area (TPSA) of 9.23 Ų, 1,3-Dimethyl-isochroman, 1e', 3e exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl-isochroman, 1e', 3e 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 1,3-Dimethyl-isochroman, 1e', 3e?
The CAS number of 1,3-Dimethyl-isochroman, 1e', 3e is 102249-66-1.
What is the molecular formula of 1,3-Dimethyl-isochroman, 1e', 3e?
The molecular formula of 1,3-Dimethyl-isochroman, 1e', 3e is C11H14O.
What is the molecular weight of 1,3-Dimethyl-isochroman, 1e', 3e?
The molecular weight of 1,3-Dimethyl-isochroman, 1e', 3e is 162.10 g/mol.
Where can I buy 1,3-Dimethyl-isochroman, 1e', 3e?
You can request a quote for 1,3-Dimethyl-isochroman, 1e', 3e directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-isochroman, 1e', 3e?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-isochroman, 1e', 3e and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.