![(alphaS)-alpha-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-N-hydroxy-N-(phenylmethyl)benzo[b]thiophene-2-methanamine structure](/static/products/2145/214532-72-6.webp)
(alphaS)-alpha-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-N-hydroxy-N-(phenylmethyl)benzo[b]thiophene-2-methanamine
TL;DR: (alphaS)-alpha-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-N-hydroxy-N-(phenylmethyl)benzo[b]thiophene-2-methanamine (CAS 214532-72-6) is a chemical compound with molecular formula C21H23NO3S and molecular weight 369.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(S)-1-benzothiophen-2-yl-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-N-benzylhydroxylamine
Also Known As: (alphaS)-alpha-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-N-hydroxy-N-(phenylmethyl)benzo[b]thiophene-2-methanamine, (I+/-S)-I+/--[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-N-hydroxy-N-(phenylmethyl)benzo[b]thiophene-2-methanamine, 1-(1-Benzothiophen-2-yl)-N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-hydroxymethanamine, N-[(S)-1-benzothiophen-2-yl-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-N-benzylhydroxylamine
| Molecular Formula | C21H23NO3S |
|---|---|
| Molecular Weight | 369.14 g/mol |
| LogP | 4.9853 |
| Topological Polar Surface Area | 41.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.13986 |
| Heavy Atoms | 26 |
| Complexity | 844.1083 |
Chemical Identifiers
| CAS Number | 214532-72-6 |
|---|---|
| SMILES | CC1(OC[C@@H](O1)[C@@H](C2=CC3=CC=CC=C3S2)N(CC4=CC=CC=C4)O)C |
Product Overview
(alphaS)-alpha-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-N-hydroxy-N-(phenylmethyl)benzo[b]thiophene-2-methanamine (CAS 214532-72-6), with molecular formula C21H23NO3S and molecular weight 369.14 g/mol. IUPAC: N-[(S)-1-benzothiophen-2-yl-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-N-benzylhydroxylamine.
Chemical Property Profile of (alphaS)-alpha-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-N-hydroxy-N-(phenylmethyl)benzo[b]thiophene-2-methanamine
Property Insights of (alphaS)-alpha-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-N-hydroxy-N-(phenylmethyl)benzo[b]thiophene-2-methanamine
The XLogP value of 4.9853 indicates that (alphaS)-alpha-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-N-hydroxy-N-(phenylmethyl)benzo[b]thiophene-2-methanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.93 Ų, (alphaS)-alpha-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-N-hydroxy-N-(phenylmethyl)benzo[b]thiophene-2-methanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (alphaS)-alpha-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-N-hydroxy-N-(phenylmethyl)benzo[b]thiophene-2-methanamine has 1 hydrogen bond donor(s) and 5 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 (alphaS)-alpha-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-N-hydroxy-N-(phenylmethyl)benzo[b]thiophene-2-methanamine?
The CAS number of (alphaS)-alpha-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-N-hydroxy-N-(phenylmethyl)benzo[b]thiophene-2-methanamine is 214532-72-6.
What is the molecular formula of (alphaS)-alpha-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-N-hydroxy-N-(phenylmethyl)benzo[b]thiophene-2-methanamine?
The molecular formula of (alphaS)-alpha-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-N-hydroxy-N-(phenylmethyl)benzo[b]thiophene-2-methanamine is C21H23NO3S.
What is the molecular weight of (alphaS)-alpha-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-N-hydroxy-N-(phenylmethyl)benzo[b]thiophene-2-methanamine?
The molecular weight of (alphaS)-alpha-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-N-hydroxy-N-(phenylmethyl)benzo[b]thiophene-2-methanamine is 369.14 g/mol.
Where can I buy (alphaS)-alpha-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-N-hydroxy-N-(phenylmethyl)benzo[b]thiophene-2-methanamine?
You can request a quote for (alphaS)-alpha-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-N-hydroxy-N-(phenylmethyl)benzo[b]thiophene-2-methanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (alphaS)-alpha-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-N-hydroxy-N-(phenylmethyl)benzo[b]thiophene-2-methanamine?
Yes, KEHONG BIO provides custom synthesis services for (alphaS)-alpha-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-N-hydroxy-N-(phenylmethyl)benzo[b]thiophene-2-methanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.