A3747/0158813
TL;DR: A3747/0158813 (CAS 1033587-79-9) is a chemical compound with molecular formula C23H29N3O5S and molecular weight 459.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-ethylsulfonylanilino)ethylamino]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
Also Known As: A3747/0158813, 3-[(2-{[4-(ethylsulfonyl)phenyl]amino}ethyl)amino]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione, 3-[2-(4-ethylsulfonylanilino)ethylamino]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione, 3-({2-[4-(ETHYLSULFONYL)ANILINO]ETHYL}AMINO)-1-(4-PROPOXYPHENYL)DIHYDRO-1H-PYRROLE-2,5-DIONE, 3-[(2-{[4-(ethylsulfonyl)phenyl]amino}ethyl)amino]-1-(4-propoxyphenyl)-2,5-pyrrolidinedione
| Molecular Formula | C23H29N3O5S |
|---|---|
| Molecular Weight | 459.18 g/mol |
| LogP | 2.6026 |
| Topological Polar Surface Area | 104.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 459.1828 |
| Heavy Atoms | 32 |
| Complexity | 1036.3065 |
Chemical Identifiers
| CAS Number | 1033587-79-9 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCCNC3=CC=C(C=C3)S(=O)(=O)CC |
Product Overview
A3747/0158813 (CAS 1033587-79-9), with molecular formula C23H29N3O5S and molecular weight 459.18 g/mol. IUPAC: 3-[2-(4-ethylsulfonylanilino)ethylamino]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione.
Chemical Property Profile of A3747/0158813
Property Insights of A3747/0158813
The XLogP value of 2.6026 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3747/0158813. The TPSA of 104.81 Ų falls within the moderate polarity range, balancing permeability and solubility for A3747/0158813. Following Lipinski's Rule of Five, A3747/0158813 has 2 hydrogen bond donor(s) and 7 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 A3747/0158813?
The CAS number of A3747/0158813 is 1033587-79-9.
What is the molecular formula of A3747/0158813?
The molecular formula of A3747/0158813 is C23H29N3O5S.
What is the molecular weight of A3747/0158813?
The molecular weight of A3747/0158813 is 459.18 g/mol.
Where can I buy A3747/0158813?
You can request a quote for A3747/0158813 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3747/0158813?
Yes, KEHONG BIO provides custom synthesis services for A3747/0158813 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.