RefChem:1072061
TL;DR: RefChem:1072061 (CAS 37967-99-0) is a chemical compound with molecular formula C21H24N2O4S and molecular weight 400.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;N,N-dimethyl-3-thieno[3,2-b][1]benzazepin-10-ylpropan-1-amine
Also Known As: 4H-Thieno(3,2-b)(1)benzazepine-4-propanamine, N,N-dimethyl-, (E)-2-butenedioate (1:1), N,N-Dimethyl-4H-thieno(3,2-b)(1)benzazepine-4-propanamine (E)-2-butenedioate (1:1), 4-(gamma-Dimethylaminopropyl)-(4H)-thieno-(3,2-b)(f)-benzazepine fumarate, (E)-but-2-enedioic acid; N,N-dimethyl-3-thieno[3,2-b][1]benzazepin-10-ylpropan-1-amine, RefChem:1072061
| Molecular Formula | C21H24N2O4S |
|---|---|
| Molecular Weight | 400.15 g/mol |
| LogP | 4.0335 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.1457 |
| Heavy Atoms | 28 |
| Complexity | 854.7955 |
Chemical Identifiers
| CAS Number | 37967-99-0 |
|---|---|
| SMILES | CN(C)CCCN1C2=C(C=CC3=CC=CC=C31)SC=C2.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1072061 (CAS 37967-99-0), with molecular formula C21H24N2O4S and molecular weight 400.15 g/mol. IUPAC: (E)-but-2-enedioic acid;N,N-dimethyl-3-thieno[3,2-b][1]benzazepin-10-ylpropan-1-amine.
Chemical Property Profile of RefChem:1072061
Property Insights of RefChem:1072061
The XLogP value of 4.0335 indicates that RefChem:1072061 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1072061. Following Lipinski's Rule of Five, RefChem:1072061 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 RefChem:1072061?
The CAS number of RefChem:1072061 is 37967-99-0.
What is the molecular formula of RefChem:1072061?
The molecular formula of RefChem:1072061 is C21H24N2O4S.
What is the molecular weight of RefChem:1072061?
The molecular weight of RefChem:1072061 is 400.15 g/mol.
Where can I buy RefChem:1072061?
You can request a quote for RefChem:1072061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1072061?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1072061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.