N,N-Dimethyl-4-octan-2-yloxysulfonyl-aniline
TL;DR: N,N-Dimethyl-4-octan-2-yloxysulfonyl-aniline (CAS 61165-55-7) is a chemical compound with molecular formula C16H27NO3S and molecular weight 313.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octan-2-yl 4-(dimethylamino)benzenesulfonate
Also Known As: octan-2-yl 4-(dimethylamino)benzenesulfonate, N,N-DIMETHYL-4-OCTAN-2-YLOXYSULFONYL-ANILINE, Octan-2-yl 4-(dimethylamino)benzene-1-sulfonate
| Molecular Formula | C16H27NO3S |
|---|---|
| Molecular Weight | 313.17 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 313.17117 |
| Heavy Atoms | 21 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 61165-55-7 |
|---|---|
| SMILES | CCCCCCC(C)OS(=O)(=O)C1=CC=C(C=C1)N(C)C |
| InChIKey | PZJRVULQHBKVNU-UHFFFAOYSA-N |
Product Overview
N,N-Dimethyl-4-octan-2-yloxysulfonyl-aniline (CAS 61165-55-7), with molecular formula C16H27NO3S and molecular weight 313.17 g/mol. IUPAC: octan-2-yl 4-(dimethylamino)benzenesulfonate.
Chemical Property Profile of N,N-Dimethyl-4-octan-2-yloxysulfonyl-aniline
Property Insights of N,N-Dimethyl-4-octan-2-yloxysulfonyl-aniline
The XLogP value of 4.6 indicates that N,N-Dimethyl-4-octan-2-yloxysulfonyl-aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.0 Ų, N,N-Dimethyl-4-octan-2-yloxysulfonyl-aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Dimethyl-4-octan-2-yloxysulfonyl-aniline has 0 hydrogen bond donor(s) and 4 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 N,N-Dimethyl-4-octan-2-yloxysulfonyl-aniline?
The CAS number of N,N-Dimethyl-4-octan-2-yloxysulfonyl-aniline is 61165-55-7.
What is the molecular formula of N,N-Dimethyl-4-octan-2-yloxysulfonyl-aniline?
The molecular formula of N,N-Dimethyl-4-octan-2-yloxysulfonyl-aniline is C16H27NO3S.
What is the molecular weight of N,N-Dimethyl-4-octan-2-yloxysulfonyl-aniline?
The molecular weight of N,N-Dimethyl-4-octan-2-yloxysulfonyl-aniline is 313.17 g/mol.
Where can I buy N,N-Dimethyl-4-octan-2-yloxysulfonyl-aniline?
You can request a quote for N,N-Dimethyl-4-octan-2-yloxysulfonyl-aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Dimethyl-4-octan-2-yloxysulfonyl-aniline?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dimethyl-4-octan-2-yloxysulfonyl-aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.