ChemDiv1_005984
TL;DR: ChemDiv1_005984 (CAS 389138-64-1) is a chemical compound with molecular formula C23H25N5O5S and molecular weight 483.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)imino-3-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1,3-thiazinan-4-one
Also Known As: ChemDiv1_005984, BIM-0042577.P001, (2E)-2-[(4-methoxyphenyl)imino]-3-methyl-6-{[4-(4-nitrophenyl)piperazin-1-yl]carbonyl}-1,3-thiazinan-4-one, (2E)-2-[(4-METHOXYPHENYL)IMINO]-3-METHYL-6-[4-(4-NITROPHENYL)PIPERAZINE-1-CARBONYL]-1,3-THIAZINAN-4-ONE, (E)-2-((4-methoxyphenyl)imino)-3-methyl-6-(4-(4-nitrophenyl)piperazine-1-carbonyl)-1,3-thiazinan-4-one
| Molecular Formula | C23H25N5O5S |
|---|---|
| Molecular Weight | 483.16 g/mol |
| LogP | 2.9036 |
| Topological Polar Surface Area | 108.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 483.15765 |
| Heavy Atoms | 34 |
| Complexity | 1097.7389 |
Chemical Identifiers
| CAS Number | 389138-64-1 |
|---|---|
| SMILES | CN1C(=O)CC(SC1=NC2=CC=C(C=C2)OC)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
ChemDiv1_005984 (CAS 389138-64-1), with molecular formula C23H25N5O5S and molecular weight 483.16 g/mol. IUPAC: 2-(4-methoxyphenyl)imino-3-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1,3-thiazinan-4-one.
Chemical Property Profile of ChemDiv1_005984
Property Insights of ChemDiv1_005984
The XLogP value of 2.9036 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_005984. The TPSA of 108.59 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005984. Following Lipinski's Rule of Five, ChemDiv1_005984 has 0 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_005984?
The CAS number of ChemDiv1_005984 is 389138-64-1.
What is the molecular formula of ChemDiv1_005984?
The molecular formula of ChemDiv1_005984 is C23H25N5O5S.
What is the molecular weight of ChemDiv1_005984?
The molecular weight of ChemDiv1_005984 is 483.16 g/mol.
Where can I buy ChemDiv1_005984?
You can request a quote for ChemDiv1_005984 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005984?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005984 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.