M&B 5885
TL;DR: M&B 5885 (CAS 6107-03-5) is a chemical compound with molecular formula C17H31NO4S2 and molecular weight 377.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;3-(methylsulfanylmethyl)-4-octoxyaniline
Also Known As: m-Toluidine, alpha-(methylthio)-4-(octyloxy)-, methanesulfonate, alpha-(Methylthio)-4-(octyloxy)-m-toluidine methanesulfonate, methanesulfonic acid;3-(methylsulfanylmethyl)-4-octoxyaniline, methanesulfonic acid; 3-(methylsulfanylmethyl)-4-octoxyaniline, Methanesulfonic acid--3-[(methylsulfanyl)methyl]-4-(octyloxy)aniline (1/1)
| Molecular Formula | C17H31NO4S2 |
|---|---|
| Molecular Weight | 377.17 g/mol |
| LogP | 4.3751 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 377.16946 |
| Heavy Atoms | 24 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 6107-03-5 |
|---|---|
| SMILES | CCCCCCCCOC1=C(C=C(C=C1)N)CSC.CS(=O)(=O)O |
| InChIKey | DOTQBYPYRCLPRT-UHFFFAOYSA-N |
Product Overview
M&B 5885 (CAS 6107-03-5), with molecular formula C17H31NO4S2 and molecular weight 377.17 g/mol. IUPAC: methanesulfonic acid;3-(methylsulfanylmethyl)-4-octoxyaniline.
Chemical Property Profile of M&B 5885
Property Insights of M&B 5885
The XLogP value of 4.3751 indicates that M&B 5885 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for M&B 5885. Following Lipinski's Rule of Five, M&B 5885 has 2 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 M&B 5885?
The CAS number of M&B 5885 is 6107-03-5.
What is the molecular formula of M&B 5885?
The molecular formula of M&B 5885 is C17H31NO4S2.
What is the molecular weight of M&B 5885?
The molecular weight of M&B 5885 is 377.17 g/mol.
Where can I buy M&B 5885?
You can request a quote for M&B 5885 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for M&B 5885?
Yes, KEHONG BIO provides custom synthesis services for M&B 5885 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.