Maybridge1_006978
TL;DR: Maybridge1_006978 (CAS 554436-18-9) is a chemical compound with molecular formula C21H18N2O3S and molecular weight 378.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-aminophenyl)sulfanyl-3-(4-nitrophenyl)-1-phenylpropan-1-one
Also Known As: Maybridge1_006978, 3-(2-aminophenyl)sulfanyl-3-(4-nitrophenyl)-1-phenylpropan-1-one, J1.882.014E, 1-Propanone, 3-[(2-aminophenyl)thio]-3-(4-nitrophenyl)-1-phenyl-, 3-[(2-aminophenyl)sulfanyl]-3-(4-nitrophenyl)-1-phenylpropan-1-one
| Molecular Formula | C21H18N2O3S |
|---|---|
| Molecular Weight | 378.10 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.10382 |
| Heavy Atoms | 27 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 554436-18-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC(C2=CC=C(C=C2)[N+](=O)[O-])SC3=CC=CC=C3N |
| InChIKey | OCVFYWNXMPQBJZ-UHFFFAOYSA-N |
Product Overview
Maybridge1_006978 (CAS 554436-18-9), with molecular formula C21H18N2O3S and molecular weight 378.10 g/mol. IUPAC: 3-(2-aminophenyl)sulfanyl-3-(4-nitrophenyl)-1-phenylpropan-1-one.
Chemical Property Profile of Maybridge1_006978
Property Insights of Maybridge1_006978
The XLogP value of 4.4 indicates that Maybridge1_006978 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Maybridge1_006978. Following Lipinski's Rule of Five, Maybridge1_006978 has 1 hydrogen bond donor(s) and 5 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 Maybridge1_006978?
The CAS number of Maybridge1_006978 is 554436-18-9.
What is the molecular formula of Maybridge1_006978?
The molecular formula of Maybridge1_006978 is C21H18N2O3S.
What is the molecular weight of Maybridge1_006978?
The molecular weight of Maybridge1_006978 is 378.10 g/mol.
Where can I buy Maybridge1_006978?
You can request a quote for Maybridge1_006978 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Maybridge1_006978?
Yes, KEHONG BIO provides custom synthesis services for Maybridge1_006978 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.