A3616/0153310
TL;DR: A3616/0153310 (CAS 697230-68-5) is a chemical compound with molecular formula C20H23N3O3S and molecular weight 385.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopentyl-4-(4-prop-2-enoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: A3616/0153310, 1-cyclopentyl-3-hydroxy-4-[4-(prop-2-en-1-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 1-cyclopentyl-4-(4-prop-2-enoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione, 4-(4-(allyloxy)phenyl)-1-cyclopentyl-3-hydroxy-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 4-[4-(ALLYLOXY)PHENYL]-1-CYCLOPENTYL-3-HYDROXY-4,8-DIHYDRO-1H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7(6H)-ONE
| Molecular Formula | C20H23N3O3S |
|---|---|
| Molecular Weight | 385.15 g/mol |
| LogP | 3.631 |
| Topological Polar Surface Area | 76.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.14603 |
| Heavy Atoms | 27 |
| Complexity | 894.18604 |
Chemical Identifiers
| CAS Number | 697230-68-5 |
|---|---|
| SMILES | C=CCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCC4 |
Product Overview
A3616/0153310 (CAS 697230-68-5), with molecular formula C20H23N3O3S and molecular weight 385.15 g/mol. IUPAC: 1-cyclopentyl-4-(4-prop-2-enoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of A3616/0153310
Property Insights of A3616/0153310
The XLogP value of 3.631 indicates that A3616/0153310 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 A3616/0153310. Following Lipinski's Rule of Five, A3616/0153310 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 A3616/0153310?
The CAS number of A3616/0153310 is 697230-68-5.
What is the molecular formula of A3616/0153310?
The molecular formula of A3616/0153310 is C20H23N3O3S.
What is the molecular weight of A3616/0153310?
The molecular weight of A3616/0153310 is 385.15 g/mol.
Where can I buy A3616/0153310?
You can request a quote for A3616/0153310 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3616/0153310?
Yes, KEHONG BIO provides custom synthesis services for A3616/0153310 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.