RefChem:1095943
TL;DR: RefChem:1095943 (CAS 37483-86-6) is a chemical compound with molecular formula C24H27ClN2O5 and molecular weight 458.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-4-phenylpiperazine
Also Known As: 5-(4-Methylpiperazino)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin maleate hydrate, Piperazine, 1-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-4-phenyl-, (Z)-2-butenedioate, hydrate (1:1:1), 1-(8-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-4-phenylpiperazine maleate hydrate, (8-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)guanidine sulfate (2:1), (E)-but-2-enedioic acid; 1-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-4-phenylpiperazine
| Molecular Formula | C24H27ClN2O5 |
|---|---|
| Molecular Weight | 458.16 g/mol |
| LogP | 4.0877 |
| Topological Polar Surface Area | 90.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.16086 |
| Heavy Atoms | 32 |
| Complexity | 926.6607 |
Chemical Identifiers
| CAS Number | 37483-86-6 |
|---|---|
| SMILES | C1CC(C2=C(C=C(C=C2)Cl)OC1)N3CCN(CC3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095943 (CAS 37483-86-6), with molecular formula C24H27ClN2O5 and molecular weight 458.16 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-4-phenylpiperazine.
Chemical Property Profile of RefChem:1095943
Property Insights of RefChem:1095943
The XLogP value of 4.0877 indicates that RefChem:1095943 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.31 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095943. Following Lipinski's Rule of Five, RefChem:1095943 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:1095943?
The CAS number of RefChem:1095943 is 37483-86-6.
What is the molecular formula of RefChem:1095943?
The molecular formula of RefChem:1095943 is C24H27ClN2O5.
What is the molecular weight of RefChem:1095943?
The molecular weight of RefChem:1095943 is 458.16 g/mol.
Where can I buy RefChem:1095943?
You can request a quote for RefChem:1095943 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095943?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095943 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.