A3758/0159341
TL;DR: A3758/0159341 (CAS 714918-88-4) is a chemical compound with molecular formula C21H27N3O3S and molecular weight 401.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,2-dimethyloxan-4-yl)-4-(2-methoxyphenyl)-3-methyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
Also Known As: A3758/0159341, 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-(2-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 1-(2,2-dimethyl(2H-3,4,5,6-tetrahydropyran-4-yl))-4-(2-methoxyphenyl)-3-methyl -4H,6H,8H-pyrazolo[5,4-e]1,4-thiazepin-7-one, 1-(2,2-DIMETHYLOXAN-4-YL)-4-(2-METHOXYPHENYL)-3-METHYL-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE, 1-(2,2-dimethyloxan-4-yl)-4-(2-methoxyphenyl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
| Molecular Formula | C21H27N3O3S |
|---|---|
| Molecular Weight | 401.18 g/mol |
| LogP | 4.10492 |
| Topological Polar Surface Area | 65.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.1773 |
| Heavy Atoms | 28 |
| Complexity | 893.0161 |
Chemical Identifiers
| CAS Number | 714918-88-4 |
|---|---|
| SMILES | CC1=NN(C2=C1C(SCC(=O)N2)C3=CC=CC=C3OC)C4CCOC(C4)(C)C |
Product Overview
A3758/0159341 (CAS 714918-88-4), with molecular formula C21H27N3O3S and molecular weight 401.18 g/mol. IUPAC: 1-(2,2-dimethyloxan-4-yl)-4-(2-methoxyphenyl)-3-methyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.
Chemical Property Profile of A3758/0159341
Property Insights of A3758/0159341
The XLogP value of 4.10492 indicates that A3758/0159341 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.38 Ų falls within the moderate polarity range, balancing permeability and solubility for A3758/0159341. Following Lipinski's Rule of Five, A3758/0159341 has 1 hydrogen bond donor(s) and 5 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 A3758/0159341?
The CAS number of A3758/0159341 is 714918-88-4.
What is the molecular formula of A3758/0159341?
The molecular formula of A3758/0159341 is C21H27N3O3S.
What is the molecular weight of A3758/0159341?
The molecular weight of A3758/0159341 is 401.18 g/mol.
Where can I buy A3758/0159341?
You can request a quote for A3758/0159341 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3758/0159341?
Yes, KEHONG BIO provides custom synthesis services for A3758/0159341 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.