RefChem:1095932
TL;DR: RefChem:1095932 (CAS 101040-81-7) is a chemical compound with molecular formula C25H29ClN2O5S and molecular weight 504.15 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-(2-methoxyethyl)piperazine
Also Known As: 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)piperazine maleate, Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)-, maleate (1:1), 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)piperazine, (E)-but-2-enedioic acid,1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-methoxyethyl)piperazine, (E)-but-2-enedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-methoxyethyl)piperazine
| Molecular Formula | C25H29ClN2O5S |
|---|---|
| Molecular Weight | 504.15 g/mol |
| LogP | 4.0642 |
| Topological Polar Surface Area | 90.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 504.14856 |
| Heavy Atoms | 34 |
| Complexity | 1008.11566 |
Chemical Identifiers
| CAS Number | 101040-81-7 |
|---|---|
| SMILES | COCCN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095932 (CAS 101040-81-7), with molecular formula C25H29ClN2O5S and molecular weight 504.15 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-methoxyethyl)piperazine.
Chemical Property Profile of RefChem:1095932
Property Insights of RefChem:1095932
The XLogP value of 4.0642 indicates that RefChem:1095932 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:1095932. Following Lipinski's Rule of Five, RefChem:1095932 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:1095932?
The CAS number of RefChem:1095932 is 101040-81-7.
What is the molecular formula of RefChem:1095932?
The molecular formula of RefChem:1095932 is C25H29ClN2O5S.
What is the molecular weight of RefChem:1095932?
The molecular weight of RefChem:1095932 is 504.15 g/mol.
Where can I buy RefChem:1095932?
You can request a quote for RefChem:1095932 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095932?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095932 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.