RefChem:1099972
TL;DR: RefChem:1099972 (CAS 181145-40-4) is a chemical compound with molecular formula C18H22ClN3O4S2 and molecular weight 443.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-5-methyl-N-(2-morpholin-4-ylethoxy)-4,4-dioxothieno[3,4-c][2,1]benzothiazepin-10-imine;hydrochloride
Also Known As: Thieno(3,4-c)(2,1)benzothiazepin-10(5H)-one, 5-methyl-, O-(2-(4-morpholinyl)ethyl)oxime, 4,4-dioxide, monohydrochloride, RefChem:1099972
| Molecular Formula | C18H22ClN3O4S2 |
|---|---|
| Molecular Weight | 443.07 g/mol |
| LogP | 2.4096 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.07404 |
| Heavy Atoms | 28 |
| Complexity | 955.24524 |
Chemical Identifiers
| CAS Number | 181145-40-4 |
|---|---|
| SMILES | CN1C2=CC=CC=C2/C(=N\OCCN3CCOCC3)/C4=CSC=C4S1(=O)=O.Cl |
Product Overview
RefChem:1099972 (CAS 181145-40-4), with molecular formula C18H22ClN3O4S2 and molecular weight 443.07 g/mol. IUPAC: (E)-5-methyl-N-(2-morpholin-4-ylethoxy)-4,4-dioxothieno[3,4-c][2,1]benzothiazepin-10-imine;hydrochloride.
Chemical Property Profile of RefChem:1099972
Property Insights of RefChem:1099972
The XLogP value of 2.4096 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1099972. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1099972. Following Lipinski's Rule of Five, RefChem:1099972 has 0 hydrogen bond donor(s) and 7 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:1099972?
The CAS number of RefChem:1099972 is 181145-40-4.
What is the molecular formula of RefChem:1099972?
The molecular formula of RefChem:1099972 is C18H22ClN3O4S2.
What is the molecular weight of RefChem:1099972?
The molecular weight of RefChem:1099972 is 443.07 g/mol.
Where can I buy RefChem:1099972?
You can request a quote for RefChem:1099972 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1099972?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1099972 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.