CAS 127905-91-3 - C20H23NO6S
TL;DR: CAS 127905-91-3 - C20H23NO6S (CAS 127905-91-3) is a chemical compound with molecular formula C20H23NO6S and molecular weight 405.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N-methylmethanamine
Also Known As: 2-((3,4-Dimethoxyphenyl)thio)-N-methylbenzenemethanamine (Z)-2-butenedioate (1:1)
| Molecular Formula | C20H23NO6S |
|---|---|
| Molecular Weight | 405.12 g/mol |
| LogP | 3.2862 |
| Topological Polar Surface Area | 105.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 405.1246 |
| Heavy Atoms | 28 |
| Complexity | 806.09326 |
Chemical Identifiers
| CAS Number | 127905-91-3 |
|---|---|
| SMILES | CNCC1=CC=CC=C1SC2=CC(=C(C=C2)OC)OC.C(=CC(=O)O)C(=O)O |
Product Overview
CAS 127905-91-3 - C20H23NO6S (CAS 127905-91-3), with molecular formula C20H23NO6S and molecular weight 405.12 g/mol. IUPAC: but-2-enedioic acid;1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N-methylmethanamine.
Chemical Property Profile of CAS 127905-91-3 - C20H23NO6S
Property Insights of CAS 127905-91-3 - C20H23NO6S
The XLogP value of 3.2862 indicates that CAS 127905-91-3 - C20H23NO6S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.09 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 127905-91-3 - C20H23NO6S. Following Lipinski's Rule of Five, CAS 127905-91-3 - C20H23NO6S has 3 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 CAS 127905-91-3 - C20H23NO6S?
The CAS number of CAS 127905-91-3 - C20H23NO6S is 127905-91-3.
What is the molecular formula of CAS 127905-91-3 - C20H23NO6S?
The molecular formula of CAS 127905-91-3 - C20H23NO6S is C20H23NO6S.
What is the molecular weight of CAS 127905-91-3 - C20H23NO6S?
The molecular weight of CAS 127905-91-3 - C20H23NO6S is 405.12 g/mol.
Where can I buy CAS 127905-91-3 - C20H23NO6S?
You can request a quote for CAS 127905-91-3 - C20H23NO6S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 127905-91-3 - C20H23NO6S?
Yes, KEHONG BIO provides custom synthesis services for CAS 127905-91-3 - C20H23NO6S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.