ChemDiv3_015784
TL;DR: ChemDiv3_015784 (CAS 578720-72-6) is a chemical compound with molecular formula C19H23N3O3S and molecular weight 373.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopentyl-4-(4-ethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: ChemDiv3_015784, 1-cyclopentyl-4-(4-ethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione, 1-CYCLOPENTYL-4-(4-ETHOXYPHENYL)-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE, 1-cyclopentyl-4-(4-ethoxyphenyl)-3-hydroxy-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 1-cyclopentyl-4-(4-ethoxyphenyl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
| Molecular Formula | C19H23N3O3S |
|---|---|
| Molecular Weight | 373.15 g/mol |
| LogP | 3.4649 |
| Topological Polar Surface Area | 76.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.14603 |
| Heavy Atoms | 26 |
| Complexity | 849.90454 |
Chemical Identifiers
| CAS Number | 578720-72-6 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCC4 |
Product Overview
ChemDiv3_015784 (CAS 578720-72-6), with molecular formula C19H23N3O3S and molecular weight 373.15 g/mol. IUPAC: 1-cyclopentyl-4-(4-ethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of ChemDiv3_015784
Property Insights of ChemDiv3_015784
The XLogP value of 3.4649 indicates that ChemDiv3_015784 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_015784. Following Lipinski's Rule of Five, ChemDiv3_015784 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 ChemDiv3_015784?
The CAS number of ChemDiv3_015784 is 578720-72-6.
What is the molecular formula of ChemDiv3_015784?
The molecular formula of ChemDiv3_015784 is C19H23N3O3S.
What is the molecular weight of ChemDiv3_015784?
The molecular weight of ChemDiv3_015784 is 373.15 g/mol.
Where can I buy ChemDiv3_015784?
You can request a quote for ChemDiv3_015784 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_015784?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_015784 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.