MS 31-038
TL;DR: MS 31-038 (CAS 181048-36-2) is a chemical compound with molecular formula C20H20N4O3 and molecular weight 364.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(diaminomethylidene)-8-(2-methoxyethoxy)-2-phenylquinoline-4-carboxamide
Also Known As: Ms 31-038, J1.123.094F, N-(diaminomethylidene)-8-(2-methoxyethoxy)-2-phenylquinoline-4-carboxamide, 2-[[2-Phenyl-8-(2-methoxyethoxy)quinoline-4-yl]carbonyl]guanidine, 7,7,8,8,9,9,10,10,10-nonafluoro-decan-1-ol
| Molecular Formula | C20H20N4O3 |
|---|---|
| Molecular Weight | 364.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.15353 |
| Heavy Atoms | 27 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 181048-36-2 |
|---|---|
| SMILES | COCCOC1=CC=CC2=C1N=C(C=C2C(=O)N=C(N)N)C3=CC=CC=C3 |
| InChIKey | ZGRLLQADDAJFDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
MS 31-038 (CAS 181048-36-2), with molecular formula C20H20N4O3 and molecular weight 364.15 g/mol. IUPAC: N-(diaminomethylidene)-8-(2-methoxyethoxy)-2-phenylquinoline-4-carboxamide.
Chemical Property Profile of MS 31-038
Property Insights of MS 31-038
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MS 31-038. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for MS 31-038. Following Lipinski's Rule of Five, MS 31-038 has 2 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 MS 31-038?
The CAS number of MS 31-038 is 181048-36-2.
What is the molecular formula of MS 31-038?
The molecular formula of MS 31-038 is C20H20N4O3.
What is the molecular weight of MS 31-038?
The molecular weight of MS 31-038 is 364.15 g/mol.
Where can I buy MS 31-038?
You can request a quote for MS 31-038 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MS 31-038?
Yes, KEHONG BIO provides custom synthesis services for MS 31-038 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.