RefChem:305629
TL;DR: RefChem:305629 (CAS 73927-77-2) is a chemical compound with molecular formula C21H28N2O2S and molecular weight 372.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5,5-dioxo-11,12-dihydrobenzo[b][1,6]benzothiazocin-10-yl)-N,N-diethylpropan-1-amine
Also Known As: 5H-Dibenzo(b,g)(1,4)thiazocine, 6,7-dihydro-5-(3-diethylaminopropyl)-, 12,12-dioxide, 6,7-Dihydro-5-(3-diethylaminopropyl)-5H-dibenzo(b,g)(1,4)thiazocine, 3-(5,5-dioxo-11,12-dihydrobenzo[b][1,6]benzothiazocin-10-yl)-N,N-diethylpropan-1-amine, 5H-DIBENZO(b,g)(1,4)THIAZOCINE, 6,7-DIHYDRO-5-(3-DIETHYLAMINOPROPYL)-, 12,12-DIO, 5H-Dibenzo[b,g][1,4]thiazocine-5-propanamine, N,N-diethyl-6,7-dihydro-, 12,12-dioxide
| Molecular Formula | C21H28N2O2S |
|---|---|
| Molecular Weight | 372.19 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 49.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.18716 |
| Heavy Atoms | 26 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 73927-77-2 |
|---|---|
| SMILES | CCN(CC)CCCN1CCC2=CC=CC=C2S(=O)(=O)C3=CC=CC=C31 |
| InChIKey | KXLPAYHMHHRMKJ-UHFFFAOYSA-N |
Product Overview
RefChem:305629 (CAS 73927-77-2), with molecular formula C21H28N2O2S and molecular weight 372.19 g/mol. IUPAC: 3-(5,5-dioxo-11,12-dihydrobenzo[b][1,6]benzothiazocin-10-yl)-N,N-diethylpropan-1-amine.
Chemical Property Profile of RefChem:305629
Property Insights of RefChem:305629
The XLogP value of 4.0 indicates that RefChem:305629 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.0 Ų, RefChem:305629 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305629 has 0 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:305629?
The CAS number of RefChem:305629 is 73927-77-2.
What is the molecular formula of RefChem:305629?
The molecular formula of RefChem:305629 is C21H28N2O2S.
What is the molecular weight of RefChem:305629?
The molecular weight of RefChem:305629 is 372.19 g/mol.
Where can I buy RefChem:305629?
You can request a quote for RefChem:305629 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305629?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305629 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.