RefChem:1083353
TL;DR: RefChem:1083353 (CAS 55301-86-5) is a chemical compound with molecular formula C30H34N2O10S and molecular weight 614.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((Z)-but-2-enedioic acid);[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]methyl acetate
Also Known As: 10,11-Dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-methanol acetate dimaleate, Dibenzo(b,f)thiepin-2-methanol, 10,11-dihydro-11-(4-methyl-1-piperazinyl)-, acetate (ester), (Z)-2-butenedioate (1:2), 8-Acetoxymethyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin di(hydrogen maleate), DIBENZO(b,f)THIEPIN-2-METHANOL, 10,11-DIHYDRO-11-(4-METHYL-1-PIPERAZINYL)-, ACET, (Z)-but-2-enedioic acid; [5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]methyl acetate
| Molecular Formula | C30H34N2O10S |
|---|---|
| Molecular Weight | 614.19 g/mol |
| LogP | 3.1691 |
| Topological Polar Surface Area | 181.98 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 614.1934 |
| Heavy Atoms | 43 |
| Complexity | 1300.4604 |
Chemical Identifiers
| CAS Number | 55301-86-5 |
|---|---|
| SMILES | CC(=O)OCC1=CC2=C(SC3=CC=CC=C3CC2N4CCN(CC4)C)C=C1.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1083353 (CAS 55301-86-5), with molecular formula C30H34N2O10S and molecular weight 614.19 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]methyl acetate.
Chemical Property Profile of RefChem:1083353
Property Insights of RefChem:1083353
The XLogP value of 3.1691 indicates that RefChem:1083353 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 181.98 Ų indicates high polarity, suggesting RefChem:1083353 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1083353 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:1083353?
The CAS number of RefChem:1083353 is 55301-86-5.
What is the molecular formula of RefChem:1083353?
The molecular formula of RefChem:1083353 is C30H34N2O10S.
What is the molecular weight of RefChem:1083353?
The molecular weight of RefChem:1083353 is 614.19 g/mol.
Where can I buy RefChem:1083353?
You can request a quote for RefChem:1083353 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1083353?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1083353 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.