RefChem:1095925
TL;DR: RefChem:1095925 (CAS 23402-08-6) is a chemical compound with molecular formula C30H31ClN2O5S and molecular weight 566.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[(4-methoxyphenyl)methyl]piperazine
Also Known As: Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-((4-methoxyphenyl)methyl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[(4-methoxyphenyl)methyl]piperazine, RefChem:1095925
| Molecular Formula | C30H31ClN2O5S |
|---|---|
| Molecular Weight | 566.16 g/mol |
| LogP | 5.6266 |
| Topological Polar Surface Area | 90.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 566.16425 |
| Heavy Atoms | 39 |
| Complexity | 1307.1829 |
Chemical Identifiers
| CAS Number | 23402-08-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2CCN(CC2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095925 (CAS 23402-08-6), with molecular formula C30H31ClN2O5S and molecular weight 566.16 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[(4-methoxyphenyl)methyl]piperazine.
Chemical Property Profile of RefChem:1095925
Property Insights of RefChem:1095925
The XLogP value of 5.6266 indicates that RefChem:1095925 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:1095925. Following Lipinski's Rule of Five, RefChem:1095925 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1095925?
The CAS number of RefChem:1095925 is 23402-08-6.
What is the molecular formula of RefChem:1095925?
The molecular formula of RefChem:1095925 is C30H31ClN2O5S.
What is the molecular weight of RefChem:1095925?
The molecular weight of RefChem:1095925 is 566.16 g/mol.
Where can I buy RefChem:1095925?
You can request a quote for RefChem:1095925 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095925?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095925 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.