RefChem:331785
TL;DR: RefChem:331785 (CAS 51724-29-9) is a chemical compound with molecular formula C24H35N3O8S3 and molecular weight 589.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]carbamate;methanesulfonic acid
Also Known As: Carbamic acid, (10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, ethyl ester, dimethanesulfonate, Ethyln-[6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-8-yl]carbamate; methanesulfonic acid, CARBAMIC ACID, (10,11-DIHYDRO-11-(4-METHYL-1-PIPERAZINYL)DIBENZO(b,f)THIEPIN-2-Y, ethyl N-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]carbamate; methanesulfonic acid, Methanesulfonic acid--ethyl hydrogen [11-(4-methylpiperazin-1-yl)-10,11-dihydrodibenzo[b,f]thiepin-2-yl]carbonimidate (2/1)
| Molecular Formula | C24H35N3O8S3 |
|---|---|
| Molecular Weight | 589.16 g/mol |
| LogP | 3.26 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 589.1586 |
| Heavy Atoms | 38 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 51724-29-9 |
|---|---|
| SMILES | CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)C.CS(=O)(=O)O.CS(=O)(=O)O |
| InChIKey | JQCATVKDJZXLNP-UHFFFAOYSA-N |
Product Overview
RefChem:331785 (CAS 51724-29-9), with molecular formula C24H35N3O8S3 and molecular weight 589.16 g/mol. IUPAC: ethyl N-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]carbamate;methanesulfonic acid.
Chemical Property Profile of RefChem:331785
Property Insights of RefChem:331785
The XLogP value of 3.26 indicates that RefChem:331785 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 196.0 Ų indicates high polarity, suggesting RefChem:331785 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:331785 has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:331785?
The CAS number of RefChem:331785 is 51724-29-9.
What is the molecular formula of RefChem:331785?
The molecular formula of RefChem:331785 is C24H35N3O8S3.
What is the molecular weight of RefChem:331785?
The molecular weight of RefChem:331785 is 589.16 g/mol.
Where can I buy RefChem:331785?
You can request a quote for RefChem:331785 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331785?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331785 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.