RefChem:1056654
TL;DR: RefChem:1056654 (CAS 34775-60-5) is a chemical compound with molecular formula C26H29ClN2O6S and molecular weight 532.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;methyl 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propanoate
Also Known As: 1-Piperazinepropanoic acid, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, methyl ester, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; methyl 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propanoate, RefChem:1056654
| Molecular Formula | C26H29ClN2O6S |
|---|---|
| Molecular Weight | 532.14 g/mol |
| LogP | 3.9809 |
| Topological Polar Surface Area | 107.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 532.1435 |
| Heavy Atoms | 36 |
| Complexity | 1101.3633 |
Chemical Identifiers
| CAS Number | 34775-60-5 |
|---|---|
| SMILES | COC(=O)CCN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056654 (CAS 34775-60-5), with molecular formula C26H29ClN2O6S and molecular weight 532.14 g/mol. IUPAC: (E)-but-2-enedioic acid;methyl 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propanoate.
Chemical Property Profile of RefChem:1056654
Property Insights of RefChem:1056654
The XLogP value of 3.9809 indicates that RefChem:1056654 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.38 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056654. Following Lipinski's Rule of Five, RefChem:1056654 has 2 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:1056654?
The CAS number of RefChem:1056654 is 34775-60-5.
What is the molecular formula of RefChem:1056654?
The molecular formula of RefChem:1056654 is C26H29ClN2O6S.
What is the molecular weight of RefChem:1056654?
The molecular weight of RefChem:1056654 is 532.14 g/mol.
Where can I buy RefChem:1056654?
You can request a quote for RefChem:1056654 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056654?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056654 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.