MS 1-2
TL;DR: MS 1-2 (CAS 92758-98-0) is a chemical compound with molecular formula C22H29Cl2N3O4 and molecular weight 469.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
MS 1-2
N-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide;dihydrochloride
Also Known As: MC 1-2, MS 1-2, N-(4-Phenoxyethyl-1-piperazinomethyl)-1,4-benzodioxan-2-carboxamide dihydrochloride, 1,4-Benzodioxan-2-carboxamide, N-((4-(2-phenoxyethyl)-1-piperazinyl)methyl)-, dihydrochloride, N-((4-(2-Phenoxyethyl)-1-piperazinyl)methyl)-1,4-benzodioxan-2-carboxamide dihydrochloride
| Molecular Formula | C22H29Cl2N3O4 |
|---|---|
| Molecular Weight | 469.15 g/mol |
| LogP | 2.44 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.1535 |
| Heavy Atoms | 31 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 92758-98-0 |
|---|---|
| SMILES | C1CN(CCN1CCOC2=CC=CC=C2)CNC(=O)C3COC4=CC=CC=C4O3.Cl.Cl |
| InChIKey | QQHSKUAPCUPZBR-UHFFFAOYSA-N |
Product Overview
MS 1-2 (CAS 92758-98-0), with molecular formula C22H29Cl2N3O4 and molecular weight 469.15 g/mol. IUPAC: N-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide;dihydrochloride.
Chemical Property Profile of MS 1-2
Property Insights of MS 1-2
The XLogP value of 2.44 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MS 1-2. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for MS 1-2. Following Lipinski's Rule of Five, MS 1-2 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 MS 1-2?
The CAS number of MS 1-2 is 92758-98-0.
What is the molecular formula of MS 1-2?
The molecular formula of MS 1-2 is C22H29Cl2N3O4.
What is the molecular weight of MS 1-2?
The molecular weight of MS 1-2 is 469.15 g/mol.
Where can I buy MS 1-2?
You can request a quote for MS 1-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MS 1-2?
Yes, KEHONG BIO provides custom synthesis services for MS 1-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.