(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine
TL;DR: (4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine (CAS 4508-82-1) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine
Also Known As: (4S,5S)-2,2-Dimethyl-4-phenyl-1,3-dioxan-5-amine, 3a-Hydroxyspartein, EINECS 252-319-1, 2,2-Dimethyl-4-phenyl-1,3-dioxan-5-amine #, (4S,5S)-(+)-5-Amino-2,2-dimethyl-4-phenyl-1,3-dioxane
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 1.8379 |
| Topological Polar Surface Area | 44.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 323.6538 |
Chemical Identifiers
| CAS Number | 4508-82-1 |
|---|---|
| SMILES | CC1(OC[C@@H]([C@@H](O1)C2=CC=CC=C2)N)C |
Product Overview
(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine (CAS 4508-82-1), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: (4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine.
Chemical Property Profile of (4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine
Property Insights of (4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine
The XLogP value of 1.8379 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine. With a topological polar surface area (TPSA) of 44.48 Ų, (4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine has 1 hydrogen bond donor(s) and 3 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 (4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine?
The CAS number of (4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine is 4508-82-1.
What is the molecular formula of (4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine?
The molecular formula of (4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine is C12H17NO2.
What is the molecular weight of (4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine?
The molecular weight of (4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine is 207.13 g/mol.
Where can I buy (4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine?
You can request a quote for (4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine?
Yes, KEHONG BIO provides custom synthesis services for (4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.