1-Benzoxepin-5(2H)-one, 3,4-dihydro-8-chloro-4-(1-piperidinylmethyl)-, (Z)-2-butenedioate (1:1)
TL;DR: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-8-chloro-4-(1-piperidinylmethyl)-, (Z)-2-butenedioate (1:1) (CAS 37480-13-0) is a chemical compound with molecular formula C20H24ClNO6 and molecular weight 409.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-8-chloro-4-(1-piperidinylmethyl)-, (Z)-2-butenedioate (1:1), 3,4-Dihydro-8-chloro-4-(1-piperidinylmethyl)-1-benzoxepin-5(2H)-one (Z)-2-butenedioate (1:1), 4-(Piperidinomethyl)-8-chloro-2,3-dihydro-4H-1-benzoxepin-5-one hydrogen maleate, 8-chloro-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1054931
| Molecular Formula | C20H24ClNO6 |
|---|---|
| Molecular Weight | 409.13 g/mol |
| LogP | 0.3673 |
| Topological Polar Surface Area | 108.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.1292 |
| Heavy Atoms | 28 |
| Complexity | 726.2115 |
Chemical Identifiers
| CAS Number | 37480-13-0 |
|---|---|
| SMILES | C1CC[NH+](CC1)CC2CCOC3=C(C2=O)C=CC(=C3)Cl.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
1-Benzoxepin-5(2H)-one, 3,4-dihydro-8-chloro-4-(1-piperidinylmethyl)-, (Z)-2-butenedioate (1:1) (CAS 37480-13-0), with molecular formula C20H24ClNO6 and molecular weight 409.13 g/mol. IUPAC: 8-chloro-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-8-chloro-4-(1-piperidinylmethyl)-, (Z)-2-butenedioate (1:1)
Property Insights of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-8-chloro-4-(1-piperidinylmethyl)-, (Z)-2-butenedioate (1:1)
The XLogP value of 0.3673 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzoxepin-5(2H)-one, 3,4-dihydro-8-chloro-4-(1-piperidinylmethyl)-, (Z)-2-butenedioate (1:1). The TPSA of 108.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzoxepin-5(2H)-one, 3,4-dihydro-8-chloro-4-(1-piperidinylmethyl)-, (Z)-2-butenedioate (1:1). Following Lipinski's Rule of Five, 1-Benzoxepin-5(2H)-one, 3,4-dihydro-8-chloro-4-(1-piperidinylmethyl)-, (Z)-2-butenedioate (1:1) 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 1-Benzoxepin-5(2H)-one, 3,4-dihydro-8-chloro-4-(1-piperidinylmethyl)-, (Z)-2-butenedioate (1:1)?
The CAS number of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-8-chloro-4-(1-piperidinylmethyl)-, (Z)-2-butenedioate (1:1) is 37480-13-0.
What is the molecular formula of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-8-chloro-4-(1-piperidinylmethyl)-, (Z)-2-butenedioate (1:1)?
The molecular formula of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-8-chloro-4-(1-piperidinylmethyl)-, (Z)-2-butenedioate (1:1) is C20H24ClNO6.
What is the molecular weight of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-8-chloro-4-(1-piperidinylmethyl)-, (Z)-2-butenedioate (1:1)?
The molecular weight of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-8-chloro-4-(1-piperidinylmethyl)-, (Z)-2-butenedioate (1:1) is 409.13 g/mol.
Where can I buy 1-Benzoxepin-5(2H)-one, 3,4-dihydro-8-chloro-4-(1-piperidinylmethyl)-, (Z)-2-butenedioate (1:1)?
You can request a quote for 1-Benzoxepin-5(2H)-one, 3,4-dihydro-8-chloro-4-(1-piperidinylmethyl)-, (Z)-2-butenedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzoxepin-5(2H)-one, 3,4-dihydro-8-chloro-4-(1-piperidinylmethyl)-, (Z)-2-butenedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoxepin-5(2H)-one, 3,4-dihydro-8-chloro-4-(1-piperidinylmethyl)-, (Z)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.