RefChem:337113
TL;DR: RefChem:337113 (CAS 23772-20-5) is a chemical compound with molecular formula C19H24ClNO3S and molecular weight 381.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(11-hydroxy-5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-6-yl)propyl-dimethylazanium chloride
Also Known As: Dibenzo(b,e)thiepin-11-ol, 6,11-dihydro-6-(3-(dimethylamino)propyl)-, 5,5-dioxide, hydrochloride, 6,11-Dihydro-6-(3-(dimethylamino)propyl)dibenzo(b,e)thiepin-11-ol 5,5-dioxide hydrochloride, 6-(3-Dimethylaminopropyl)-6,11-dihydrodibenzo(b,e)thiepin-11-ol 5,5-dioxide hydrochloride, 3-(11-hydroxy-5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-6-yl)propyl-dimethylazanium chloride, RefChem:337113
| Molecular Formula | C19H24ClNO3S |
|---|---|
| Molecular Weight | 381.12 g/mol |
| LogP | -1.47 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.11655 |
| Heavy Atoms | 25 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 23772-20-5 |
|---|---|
| SMILES | C[NH+](C)CCCC1C2=CC=CC=C2C(C3=CC=CC=C3S1(=O)=O)O.[Cl-] |
| InChIKey | WWVPOYIILCJMAJ-UHFFFAOYSA-N |
Product Overview
RefChem:337113 (CAS 23772-20-5), with molecular formula C19H24ClNO3S and molecular weight 381.12 g/mol. IUPAC: 3-(11-hydroxy-5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-6-yl)propyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:337113
Property Insights of RefChem:337113
The XLogP value of -1.47 indicates that RefChem:337113 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:337113. Following Lipinski's Rule of Five, RefChem:337113 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:337113?
The CAS number of RefChem:337113 is 23772-20-5.
What is the molecular formula of RefChem:337113?
The molecular formula of RefChem:337113 is C19H24ClNO3S.
What is the molecular weight of RefChem:337113?
The molecular weight of RefChem:337113 is 381.12 g/mol.
Where can I buy RefChem:337113?
You can request a quote for RefChem:337113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:337113?
Yes, KEHONG BIO provides custom synthesis services for RefChem:337113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.