RefChem:1095942
TL;DR: RefChem:1095942 (CAS 37483-83-3) is a chemical compound with molecular formula C23H29ClN2O9 and molecular weight 512.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);1-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-4-methylpiperazine
Also Known As: Piperazine, 1-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-4-methyl-, (Z)-2-butenedioate (1:2), 5-(4-Methylpiperazino)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin di(hydrogen maleate), (E)-but-2-enedioic acid; 1-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-4-methylpiperazine, RefChem:1095942
| Molecular Formula | C23H29ClN2O9 |
|---|---|
| Molecular Weight | 512.16 g/mol |
| LogP | 2.2247 |
| Topological Polar Surface Area | 164.91 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 512.1561 |
| Heavy Atoms | 35 |
| Complexity | 874.9197 |
Chemical Identifiers
| CAS Number | 37483-83-3 |
|---|---|
| SMILES | CN1CCN(CC1)C2C3=C(OCCC2)C=C(C=C3)Cl.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095942 (CAS 37483-83-3), with molecular formula C23H29ClN2O9 and molecular weight 512.16 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-4-methylpiperazine.
Chemical Property Profile of RefChem:1095942
Property Insights of RefChem:1095942
The XLogP value of 2.2247 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1095942. The TPSA of 164.91 Ų indicates high polarity, suggesting RefChem:1095942 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1095942 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1095942?
The CAS number of RefChem:1095942 is 37483-83-3.
What is the molecular formula of RefChem:1095942?
The molecular formula of RefChem:1095942 is C23H29ClN2O9.
What is the molecular weight of RefChem:1095942?
The molecular weight of RefChem:1095942 is 512.16 g/mol.
Where can I buy RefChem:1095942?
You can request a quote for RefChem:1095942 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095942?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095942 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.