ChemDiv1_011306
TL;DR: ChemDiv1_011306 (CAS 312514-55-9) is a chemical compound with molecular formula C23H27N3O6S and molecular weight 473.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-3-methoxypropan-2-yl] 4-methoxybenzoate
Also Known As: ChemDiv1_011306, BAS 03814340, A1963/0082596, [1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-3-methoxypropan-2-yl] 4-methoxybenzoate, 1-(4-(1,1-dioxidobenzo[d]isothiazol-3-yl)piperazin-1-yl)-3-methoxypropan-2-yl 4-methoxybenzoate
| Molecular Formula | C23H27N3O6S |
|---|---|
| Molecular Weight | 473.16 g/mol |
| LogP | 1.6337 |
| Topological Polar Surface Area | 97.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.16205 |
| Heavy Atoms | 33 |
| Complexity | 1125.1406 |
Chemical Identifiers
| CAS Number | 312514-55-9 |
|---|---|
| SMILES | COCC(CN1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)OC |
Product Overview
ChemDiv1_011306 (CAS 312514-55-9), with molecular formula C23H27N3O6S and molecular weight 473.16 g/mol. IUPAC: [1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-3-methoxypropan-2-yl] 4-methoxybenzoate.
Chemical Property Profile of ChemDiv1_011306
Property Insights of ChemDiv1_011306
The XLogP value of 1.6337 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_011306. The TPSA of 97.74 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_011306. Following Lipinski's Rule of Five, ChemDiv1_011306 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_011306?
The CAS number of ChemDiv1_011306 is 312514-55-9.
What is the molecular formula of ChemDiv1_011306?
The molecular formula of ChemDiv1_011306 is C23H27N3O6S.
What is the molecular weight of ChemDiv1_011306?
The molecular weight of ChemDiv1_011306 is 473.16 g/mol.
Where can I buy ChemDiv1_011306?
You can request a quote for ChemDiv1_011306 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011306?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011306 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.