A3758/0159340
TL;DR: A3758/0159340 (CAS 727674-18-2) is a chemical compound with molecular formula C19H22BrN3O3S and molecular weight 451.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-1-(2,2-dimethyloxan-4-yl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: A3758/0159340, 4-(4-bromophenyl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-(4-BROMOPHENYL)-1-(2,2-DIMETHYLOXAN-4-YL)-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE, 4-(4-bromophenyl)-1-(2,2-dimethyloxan-4-yl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione, 4-(4-bromophenyl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-hydroxy-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
| Molecular Formula | C19H22BrN3O3S |
|---|---|
| Molecular Weight | 451.06 g/mol |
| LogP | 3.8437 |
| Topological Polar Surface Area | 76.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 451.05652 |
| Heavy Atoms | 27 |
| Complexity | 919.27136 |
Chemical Identifiers
| CAS Number | 727674-18-2 |
|---|---|
| SMILES | CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC=C(C=C4)Br)C(=O)N2)C |
Product Overview
A3758/0159340 (CAS 727674-18-2), with molecular formula C19H22BrN3O3S and molecular weight 451.06 g/mol. IUPAC: 4-(4-bromophenyl)-1-(2,2-dimethyloxan-4-yl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of A3758/0159340
Property Insights of A3758/0159340
The XLogP value of 3.8437 indicates that A3758/0159340 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 A3758/0159340. Following Lipinski's Rule of Five, A3758/0159340 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 A3758/0159340?
The CAS number of A3758/0159340 is 727674-18-2.
What is the molecular formula of A3758/0159340?
The molecular formula of A3758/0159340 is C19H22BrN3O3S.
What is the molecular weight of A3758/0159340?
The molecular weight of A3758/0159340 is 451.06 g/mol.
Where can I buy A3758/0159340?
You can request a quote for A3758/0159340 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3758/0159340?
Yes, KEHONG BIO provides custom synthesis services for A3758/0159340 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.