RefChem:1057319
TL;DR: RefChem:1057319 (CAS 37967-95-6) is a chemical compound with molecular formula C21H24N2O5S and molecular weight 416.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;10-[3-(dimethylamino)propyl]-5H-thieno[3,2-b][1]benzazepin-4-one
Also Known As: 10-Oxo-4-(gamma-dimethylaminopropyl)-9,10-dihydro-(4H)-thieno-(3,2-b)(f)-benzazepine fumarate, 10H-Thieno(3,2-b)(1)benzazepin-10-one, 4,9-dihydro-4-(3-(dimethylamino)propyl)-, (E)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 10-[3-(dimethylamino)propyl]-5H-thieno[3,2-b][1]benzazepin-4-one, RefChem:1057319
| Molecular Formula | C21H24N2O5S |
|---|---|
| Molecular Weight | 416.14 g/mol |
| LogP | 3.2885 |
| Topological Polar Surface Area | 98.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.1406 |
| Heavy Atoms | 29 |
| Complexity | 887.9813 |
Chemical Identifiers
| CAS Number | 37967-95-6 |
|---|---|
| SMILES | CN(C)CCCN1C2=C(C(=O)CC3=CC=CC=C31)SC=C2.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1057319 (CAS 37967-95-6), with molecular formula C21H24N2O5S and molecular weight 416.14 g/mol. IUPAC: (E)-but-2-enedioic acid;10-[3-(dimethylamino)propyl]-5H-thieno[3,2-b][1]benzazepin-4-one.
Chemical Property Profile of RefChem:1057319
Property Insights of RefChem:1057319
The XLogP value of 3.2885 indicates that RefChem:1057319 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.15 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1057319. Following Lipinski's Rule of Five, RefChem:1057319 has 2 hydrogen bond donor(s) and 6 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 RefChem:1057319?
The CAS number of RefChem:1057319 is 37967-95-6.
What is the molecular formula of RefChem:1057319?
The molecular formula of RefChem:1057319 is C21H24N2O5S.
What is the molecular weight of RefChem:1057319?
The molecular weight of RefChem:1057319 is 416.14 g/mol.
Where can I buy RefChem:1057319?
You can request a quote for RefChem:1057319 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057319?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057319 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.