RefChem:1066207
TL;DR: RefChem:1066207 (CAS 37577-95-0) is a chemical compound with molecular formula C26H30N2O4S2 and molecular weight 498.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;3-methyl-8-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-3,8-diazabicyclo[3.2.1]octane
Also Known As: 3,8-Diazabicyclo(3.2.1)octane, 8-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-3-methyl-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 3-methyl-8-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-3,8-diazabicyclo[3.2.1]octane, RefChem:1066207
| Molecular Formula | C26H30N2O4S2 |
|---|---|
| Molecular Weight | 498.16 g/mol |
| LogP | 4.6471 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 498.1647 |
| Heavy Atoms | 34 |
| Complexity | 1060.2203 |
Chemical Identifiers
| CAS Number | 37577-95-0 |
|---|---|
| SMILES | CN1CC2CCC(C1)N2C3CC4=CC=CC=C4SC5=C3C=C(C=C5)SC.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1066207 (CAS 37577-95-0), with molecular formula C26H30N2O4S2 and molecular weight 498.16 g/mol. IUPAC: (E)-but-2-enedioic acid;3-methyl-8-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-3,8-diazabicyclo[3.2.1]octane.
Chemical Property Profile of RefChem:1066207
Property Insights of RefChem:1066207
The XLogP value of 4.6471 indicates that RefChem:1066207 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:1066207. Following Lipinski's Rule of Five, RefChem:1066207 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1066207?
The CAS number of RefChem:1066207 is 37577-95-0.
What is the molecular formula of RefChem:1066207?
The molecular formula of RefChem:1066207 is C26H30N2O4S2.
What is the molecular weight of RefChem:1066207?
The molecular weight of RefChem:1066207 is 498.16 g/mol.
Where can I buy RefChem:1066207?
You can request a quote for RefChem:1066207 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066207?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066207 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.