RefChem:1095937
TL;DR: RefChem:1095937 (CAS 34775-53-6) is a chemical compound with molecular formula C26H29ClN2O4S and molecular weight 500.15 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-(cyclopropylmethyl)piperazine
Also Known As: 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(cyclopropylmethyl)piperazine maleate, Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(cyclopropylmethyl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(cyclopropylmethyl)piperazine, RefChem:1095937
| Molecular Formula | C26H29ClN2O4S |
|---|---|
| Molecular Weight | 500.15 g/mol |
| LogP | 4.8278 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 500.15366 |
| Heavy Atoms | 34 |
| Complexity | 1048.5162 |
Chemical Identifiers
| CAS Number | 34775-53-6 |
|---|---|
| SMILES | C1CC1CN2CCN(CC2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095937 (CAS 34775-53-6), with molecular formula C26H29ClN2O4S and molecular weight 500.15 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(cyclopropylmethyl)piperazine.
Chemical Property Profile of RefChem:1095937
Property Insights of RefChem:1095937
The XLogP value of 4.8278 indicates that RefChem:1095937 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095937. Following Lipinski's Rule of Five, RefChem:1095937 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1095937?
The CAS number of RefChem:1095937 is 34775-53-6.
What is the molecular formula of RefChem:1095937?
The molecular formula of RefChem:1095937 is C26H29ClN2O4S.
What is the molecular weight of RefChem:1095937?
The molecular weight of RefChem:1095937 is 500.15 g/mol.
Where can I buy RefChem:1095937?
You can request a quote for RefChem:1095937 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095937?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095937 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.