RefChem:1066209
TL;DR: RefChem:1066209 (CAS 37577-93-8) is a chemical compound with molecular formula C25H27ClN2O4S and molecular weight 486.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;8-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-3-methyl-3,8-diazabicyclo[3.2.1]octane
Also Known As: 3,8-Diazabicyclo(3.2.1)octane, 8-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-3-methyl-,(Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 8-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-3-methyl-3,8-diazabicyclo[3.2.1]octane, RefChem:1066209
| Molecular Formula | C25H27ClN2O4S |
|---|---|
| Molecular Weight | 486.14 g/mol |
| LogP | 4.5786 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 486.138 |
| Heavy Atoms | 33 |
| Complexity | 1046.1224 |
Chemical Identifiers
| CAS Number | 37577-93-8 |
|---|---|
| SMILES | CN1CC2CCC(C1)N2C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1066209 (CAS 37577-93-8), with molecular formula C25H27ClN2O4S and molecular weight 486.14 g/mol. IUPAC: (E)-but-2-enedioic acid;8-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-3-methyl-3,8-diazabicyclo[3.2.1]octane.
Chemical Property Profile of RefChem:1066209
Property Insights of RefChem:1066209
The XLogP value of 4.5786 indicates that RefChem:1066209 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:1066209. Following Lipinski's Rule of Five, RefChem:1066209 has 2 hydrogen bond donor(s) and 5 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:1066209?
The CAS number of RefChem:1066209 is 37577-93-8.
What is the molecular formula of RefChem:1066209?
The molecular formula of RefChem:1066209 is C25H27ClN2O4S.
What is the molecular weight of RefChem:1066209?
The molecular weight of RefChem:1066209 is 486.14 g/mol.
Where can I buy RefChem:1066209?
You can request a quote for RefChem:1066209 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066209?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066209 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.