ChemDiv1_006943
TL;DR: ChemDiv1_006943 (CAS 420832-87-7) is a chemical compound with molecular formula C19H18N4O5S2 and molecular weight 446.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide
Also Known As: ChemDiv1_006943, N-[2-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide, N-(2-((2-((4-methoxy-2-nitrophenyl)amino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)propionamide, N-[2-({[(4-METHOXY-2-NITROPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,3-BENZOTHIAZOL-6-YL]PROPANAMIDE, N-[2-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]propanamide
| Molecular Formula | C19H18N4O5S2 |
|---|---|
| Molecular Weight | 446.07 g/mol |
| LogP | 4.2924 |
| Topological Polar Surface Area | 123.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.07187 |
| Heavy Atoms | 30 |
| Complexity | 1115.4979 |
Chemical Identifiers
| CAS Number | 420832-87-7 |
|---|---|
| SMILES | CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-] |
Product Overview
ChemDiv1_006943 (CAS 420832-87-7), with molecular formula C19H18N4O5S2 and molecular weight 446.07 g/mol. IUPAC: N-[2-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide.
Chemical Property Profile of ChemDiv1_006943
Property Insights of ChemDiv1_006943
The XLogP value of 4.2924 indicates that ChemDiv1_006943 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006943. Following Lipinski's Rule of Five, ChemDiv1_006943 has 2 hydrogen bond donor(s) and 8 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 ChemDiv1_006943?
The CAS number of ChemDiv1_006943 is 420832-87-7.
What is the molecular formula of ChemDiv1_006943?
The molecular formula of ChemDiv1_006943 is C19H18N4O5S2.
What is the molecular weight of ChemDiv1_006943?
The molecular weight of ChemDiv1_006943 is 446.07 g/mol.
Where can I buy ChemDiv1_006943?
You can request a quote for ChemDiv1_006943 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006943?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006943 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.