RefChem:1054939
TL;DR: RefChem:1054939 (CAS 37480-00-5) is a chemical compound with molecular formula C19H24ClNO5 and molecular weight 381.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(8-chloro-2,3-dihydro-1-benzoxepin-5-yl)propyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 1-Benzoxepin-5-propanamine, 2,3-dihydro-8-chloro-N,N-dimethyl-, (Z)-2-butenedioate (1:1), 5-(3-Dimethylaminopropyl)-8-chloro-2,3-dihydro-1-benzoxepin hydrogen maleate, 2,3-Dihydro-8-chloro-N,N-dimethyl-1-benzoxepin-5-propanamine (Z)-2-butenedioate (1:1), 3-(8-chloro-2,3-dihydro-1-benzoxepin-5-yl)propyl-dimethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1054939
| Molecular Formula | C19H24ClNO5 |
|---|---|
| Molecular Weight | 381.13 g/mol |
| LogP | 0.8077 |
| Topological Polar Surface Area | 91.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.1343 |
| Heavy Atoms | 26 |
| Complexity | 666.5071 |
Chemical Identifiers
| CAS Number | 37480-00-5 |
|---|---|
| SMILES | C[NH+](C)CCCC1=CCCOC2=C1C=CC(=C2)Cl.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1054939 (CAS 37480-00-5), with molecular formula C19H24ClNO5 and molecular weight 381.13 g/mol. IUPAC: 3-(8-chloro-2,3-dihydro-1-benzoxepin-5-yl)propyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of RefChem:1054939
Property Insights of RefChem:1054939
The XLogP value of 0.8077 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1054939. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1054939. Following Lipinski's Rule of Five, RefChem:1054939 has 2 hydrogen bond donor(s) and 4 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:1054939?
The CAS number of RefChem:1054939 is 37480-00-5.
What is the molecular formula of RefChem:1054939?
The molecular formula of RefChem:1054939 is C19H24ClNO5.
What is the molecular weight of RefChem:1054939?
The molecular weight of RefChem:1054939 is 381.13 g/mol.
Where can I buy RefChem:1054939?
You can request a quote for RefChem:1054939 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054939?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054939 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.