RefChem:1095705
TL;DR: RefChem:1095705 (CAS 60969-97-3) is a chemical compound with molecular formula C29H34N2O10S and molecular weight 602.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);1-(2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine
Also Known As: C21H26N2O2S.2C4H4O4.1/2H2O, 2,3-Dimethoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b.f)thiepin dimaleate hemihydrate, C21-H26-N2-O2-S.2C4-H4-O4.1/2H2-O, Piperazine, 1-(10,11-dihydro-2,3-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate, hydrate (2:4:1), (E)-but-2-enedioic acid; 1-(2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine
| Molecular Formula | C29H34N2O10S |
|---|---|
| Molecular Weight | 602.19 g/mol |
| LogP | 3.1232 |
| Topological Polar Surface Area | 174.14 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 602.1934 |
| Heavy Atoms | 42 |
| Complexity | 1253.4884 |
Chemical Identifiers
| CAS Number | 60969-97-3 |
|---|---|
| SMILES | CN1CCN(CC1)C2C3=CC=CC=C3SC4=CC(=C(C=C4C2)OC)OC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095705 (CAS 60969-97-3), with molecular formula C29H34N2O10S and molecular weight 602.19 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-(2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine.
Chemical Property Profile of RefChem:1095705
Property Insights of RefChem:1095705
The XLogP value of 3.1232 indicates that RefChem:1095705 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 174.14 Ų indicates high polarity, suggesting RefChem:1095705 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1095705 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1095705?
The CAS number of RefChem:1095705 is 60969-97-3.
What is the molecular formula of RefChem:1095705?
The molecular formula of RefChem:1095705 is C29H34N2O10S.
What is the molecular weight of RefChem:1095705?
The molecular weight of RefChem:1095705 is 602.19 g/mol.
Where can I buy RefChem:1095705?
You can request a quote for RefChem:1095705 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095705?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095705 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.