(S)-4-(1-(methylamino)-3-(4-nitrophenoxy)propyl)phenyl dimethylcarbamate
TL;DR: (S)-4-(1-(methylamino)-3-(4-nitrophenoxy)propyl)phenyl dimethylcarbamate (CAS 444667-96-3) is a chemical compound with molecular formula C19H23N3O5 and molecular weight 373.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(1S)-1-(methylamino)-3-(4-nitrophenoxy)propyl]phenyl] N,N-dimethylcarbamate
Also Known As: RS-1259 free base, BGC-20-1259, BGC20-1259, J1.838.595C, (S)-4-(1-(methylamino)-3-(4-nitrophenoxy)propyl)phenyl dimethylcarbamate
| Molecular Formula | C19H23N3O5 |
|---|---|
| Molecular Weight | 373.16 g/mol |
| LogP | 3.3848 |
| Topological Polar Surface Area | 93.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 373.16376 |
| Heavy Atoms | 27 |
| Complexity | 759.9195 |
Chemical Identifiers
| CAS Number | 444667-96-3 |
|---|---|
| SMILES | CN[C@@H](CCOC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)OC(=O)N(C)C |
Product Overview
(S)-4-(1-(methylamino)-3-(4-nitrophenoxy)propyl)phenyl dimethylcarbamate (CAS 444667-96-3), with molecular formula C19H23N3O5 and molecular weight 373.16 g/mol. IUPAC: [4-[(1S)-1-(methylamino)-3-(4-nitrophenoxy)propyl]phenyl] N,N-dimethylcarbamate.
Chemical Property Profile of (S)-4-(1-(methylamino)-3-(4-nitrophenoxy)propyl)phenyl dimethylcarbamate
Property Insights of (S)-4-(1-(methylamino)-3-(4-nitrophenoxy)propyl)phenyl dimethylcarbamate
The XLogP value of 3.3848 indicates that (S)-4-(1-(methylamino)-3-(4-nitrophenoxy)propyl)phenyl dimethylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.94 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-4-(1-(methylamino)-3-(4-nitrophenoxy)propyl)phenyl dimethylcarbamate. Following Lipinski's Rule of Five, (S)-4-(1-(methylamino)-3-(4-nitrophenoxy)propyl)phenyl dimethylcarbamate has 1 hydrogen bond donor(s) and 6 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 (S)-4-(1-(methylamino)-3-(4-nitrophenoxy)propyl)phenyl dimethylcarbamate?
The CAS number of (S)-4-(1-(methylamino)-3-(4-nitrophenoxy)propyl)phenyl dimethylcarbamate is 444667-96-3.
What is the molecular formula of (S)-4-(1-(methylamino)-3-(4-nitrophenoxy)propyl)phenyl dimethylcarbamate?
The molecular formula of (S)-4-(1-(methylamino)-3-(4-nitrophenoxy)propyl)phenyl dimethylcarbamate is C19H23N3O5.
What is the molecular weight of (S)-4-(1-(methylamino)-3-(4-nitrophenoxy)propyl)phenyl dimethylcarbamate?
The molecular weight of (S)-4-(1-(methylamino)-3-(4-nitrophenoxy)propyl)phenyl dimethylcarbamate is 373.16 g/mol.
Where can I buy (S)-4-(1-(methylamino)-3-(4-nitrophenoxy)propyl)phenyl dimethylcarbamate?
You can request a quote for (S)-4-(1-(methylamino)-3-(4-nitrophenoxy)propyl)phenyl dimethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-4-(1-(methylamino)-3-(4-nitrophenoxy)propyl)phenyl dimethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (S)-4-(1-(methylamino)-3-(4-nitrophenoxy)propyl)phenyl dimethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.