RefChem:1083323
TL;DR: RefChem:1083323 (CAS 25627-41-2) is a chemical compound with molecular formula C23H25NO5S and molecular weight 427.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[(3Z)-3-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: cis-Prothiadene-S-oxide hydrogen maleate, cis-11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin 5-oxide hydrogen maleate, Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N-dimethyl-, 5-oxide, maleate (1:1), (Z)-, DIBENZO(b,e)THIEPIN-delta(sup 11(6H),gamma)-PROPYLAMINE, N,N-DIMETHYL-, 5-OXIDE,, dimethyl-[(3Z)-3-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate
| Molecular Formula | C23H25NO5S |
|---|---|
| Molecular Weight | 427.15 g/mol |
| LogP | 0.6512 |
| Topological Polar Surface Area | 98.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.14536 |
| Heavy Atoms | 30 |
| Complexity | 978.5929 |
Chemical Identifiers
| CAS Number | 25627-41-2 |
|---|---|
| SMILES | C[NH+](C)CC/C=C\1/C2=CC=CC=C2CS(=O)C3=CC=CC=C31.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1083323 (CAS 25627-41-2), with molecular formula C23H25NO5S and molecular weight 427.15 g/mol. IUPAC: dimethyl-[(3Z)-3-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of RefChem:1083323
Property Insights of RefChem:1083323
The XLogP value of 0.6512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1083323. The TPSA of 98.94 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1083323. Following Lipinski's Rule of Five, RefChem:1083323 has 2 hydrogen bond donor(s) and 4 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:1083323?
The CAS number of RefChem:1083323 is 25627-41-2.
What is the molecular formula of RefChem:1083323?
The molecular formula of RefChem:1083323 is C23H25NO5S.
What is the molecular weight of RefChem:1083323?
The molecular weight of RefChem:1083323 is 427.15 g/mol.
Where can I buy RefChem:1083323?
You can request a quote for RefChem:1083323 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1083323?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1083323 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.