A3758/0159336
TL;DR: A3758/0159336 (CAS 714283-39-3) is a chemical compound with molecular formula C20H25N3O4S and molecular weight 403.16 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)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: A3758/0159336, 1-(2,2-dimethyloxan-4-yl)-4-(2-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione, 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-hydroxy-4-(2-methoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-hydroxy-4-(2-methoxyphenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-(2-methoxyphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol
| Molecular Formula | C20H25N3O4S |
|---|---|
| Molecular Weight | 403.16 g/mol |
| LogP | 3.0898 |
| Topological Polar Surface Area | 85.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.1566 |
| Heavy Atoms | 28 |
| Complexity | 949.1677 |
Chemical Identifiers
| CAS Number | 714283-39-3 |
|---|---|
| SMILES | CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC=CC=C4OC)C(=O)N2)C |
Product Overview
A3758/0159336 (CAS 714283-39-3), with molecular formula C20H25N3O4S and molecular weight 403.16 g/mol. IUPAC: 1-(2,2-dimethyloxan-4-yl)-4-(2-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of A3758/0159336
Property Insights of A3758/0159336
The XLogP value of 3.0898 indicates that A3758/0159336 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.35 Ų falls within the moderate polarity range, balancing permeability and solubility for A3758/0159336. Following Lipinski's Rule of Five, A3758/0159336 has 2 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 A3758/0159336?
The CAS number of A3758/0159336 is 714283-39-3.
What is the molecular formula of A3758/0159336?
The molecular formula of A3758/0159336 is C20H25N3O4S.
What is the molecular weight of A3758/0159336?
The molecular weight of A3758/0159336 is 403.16 g/mol.
Where can I buy A3758/0159336?
You can request a quote for A3758/0159336 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3758/0159336?
Yes, KEHONG BIO provides custom synthesis services for A3758/0159336 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.