![4,4'-Sulfonylbis(n-{[(12-methyltridecyl)sulfanyl]methyl}aniline) structure](/static/products/813/81329-99-9.png)
4,4'-Sulfonylbis(n-{[(12-methyltridecyl)sulfanyl]methyl}aniline)
TL;DR: 4,4'-Sulfonylbis(n-{[(12-methyltridecyl)sulfanyl]methyl}aniline) (CAS 81329-99-9) is a chemical compound with molecular formula C42H72N2O2S3 and molecular weight 732.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(12-methyltridecylsulfanylmethyl)-4-[4-(12-methyltridecylsulfanylmethylamino)phenyl]sulfonylaniline
Also Known As: 4,4'-sulfonylbis(n-{[(12-methyltridecyl)sulfanyl]methyl}aniline), 4,4'-Sulfonylbis(N-{[(12-methyltridecyl)thio]methyl}aniline)-{[(12-methyltridecyl)thio]methyl}(4-{[4-({[(12-methyltridecyl)thio]methyl}amino)phenyl]sulfonyl}phenyl)amine, N-(12-methyltridecylsulfanylmethyl)-4-[4-(12-methyltridecylsulfanylmethylamino)phenyl]sulfonyl-aniline, N-(12-methyltridecylsulfanylmethyl)-4-[4-(12-methyltridecylsulfanylmethylamino)phenyl]sulfonylaniline
| Molecular Formula | C42H72N2O2S3 |
|---|---|
| Molecular Weight | 732.48 g/mol |
| LogP | 16.9 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 32 |
| Exact Mass | 732.4756 |
| Heavy Atoms | 49 |
| Complexity | 769.0 |
Chemical Identifiers
| CAS Number | 81329-99-9 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCCSCNC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NCSCCCCCCCCCCCC(C)C |
| InChIKey | GNRFQZSIGPUHSO-UHFFFAOYSA-N |
Product Overview
4,4'-Sulfonylbis(n-{[(12-methyltridecyl)sulfanyl]methyl}aniline) (CAS 81329-99-9), with molecular formula C42H72N2O2S3 and molecular weight 732.48 g/mol. IUPAC: N-(12-methyltridecylsulfanylmethyl)-4-[4-(12-methyltridecylsulfanylmethylamino)phenyl]sulfonylaniline.
Chemical Property Profile of 4,4'-Sulfonylbis(n-{[(12-methyltridecyl)sulfanyl]methyl}aniline)
Property Insights of 4,4'-Sulfonylbis(n-{[(12-methyltridecyl)sulfanyl]methyl}aniline)
The XLogP value of 16.9 indicates that 4,4'-Sulfonylbis(n-{[(12-methyltridecyl)sulfanyl]methyl}aniline) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Sulfonylbis(n-{[(12-methyltridecyl)sulfanyl]methyl}aniline). Following Lipinski's Rule of Five, 4,4'-Sulfonylbis(n-{[(12-methyltridecyl)sulfanyl]methyl}aniline) has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4'-Sulfonylbis(n-{[(12-methyltridecyl)sulfanyl]methyl}aniline)?
The CAS number of 4,4'-Sulfonylbis(n-{[(12-methyltridecyl)sulfanyl]methyl}aniline) is 81329-99-9.
What is the molecular formula of 4,4'-Sulfonylbis(n-{[(12-methyltridecyl)sulfanyl]methyl}aniline)?
The molecular formula of 4,4'-Sulfonylbis(n-{[(12-methyltridecyl)sulfanyl]methyl}aniline) is C42H72N2O2S3.
What is the molecular weight of 4,4'-Sulfonylbis(n-{[(12-methyltridecyl)sulfanyl]methyl}aniline)?
The molecular weight of 4,4'-Sulfonylbis(n-{[(12-methyltridecyl)sulfanyl]methyl}aniline) is 732.48 g/mol.
Where can I buy 4,4'-Sulfonylbis(n-{[(12-methyltridecyl)sulfanyl]methyl}aniline)?
You can request a quote for 4,4'-Sulfonylbis(n-{[(12-methyltridecyl)sulfanyl]methyl}aniline) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Sulfonylbis(n-{[(12-methyltridecyl)sulfanyl]methyl}aniline)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Sulfonylbis(n-{[(12-methyltridecyl)sulfanyl]methyl}aniline) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.