DEAP
TL;DR: DEAP (CAS 21271-35-2) is a chemical compound with molecular formula C18H28N2O6S and molecular weight 400.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(diethylamino)propyl]-6,7-dimethoxy-1,1-dioxo-3,4-dihydro-2,1λ6-benzoxathiine-3-carboxamide
Also Known As: DEAP, Sid 747211, 3-(3'-Diethylaminopropyl-(1')-carbamoyl)-6,7-dimethoxy-1-thiaisochroman-1,1-dioxide, 2,1-Benzoxathiin-3-carboxamide, N-(3-(diethylamino)propyl)-3,4-dihydro-6,7-dimethoxy-, 1,1-dioxide, 2,1-Benzoxathiin-3-carboxamide, N-[3-(diethylamino)propyl]-3,4-dihydro-6,7-dimethoxy-, 1,1-dioxide
| Molecular Formula | C18H28N2O6S |
|---|---|
| Molecular Weight | 400.17 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 400.1668 |
| Heavy Atoms | 27 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 21271-35-2 |
|---|---|
| SMILES | CCN(CC)CCCNC(=O)C1CC2=CC(=C(C=C2S(=O)(=O)O1)OC)OC |
| InChIKey | GKMUNXZFFRKDML-UHFFFAOYSA-N |
Product Overview
DEAP (CAS 21271-35-2), with molecular formula C18H28N2O6S and molecular weight 400.17 g/mol. IUPAC: N-[3-(diethylamino)propyl]-6,7-dimethoxy-1,1-dioxo-3,4-dihydro-2,1λ6-benzoxathiine-3-carboxamide.
Chemical Property Profile of DEAP
Property Insights of DEAP
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DEAP. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for DEAP. Following Lipinski's Rule of Five, DEAP has 1 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 DEAP?
The CAS number of DEAP is 21271-35-2.
What is the molecular formula of DEAP?
The molecular formula of DEAP is C18H28N2O6S.
What is the molecular weight of DEAP?
The molecular weight of DEAP is 400.17 g/mol.
Where can I buy DEAP?
You can request a quote for DEAP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DEAP?
Yes, KEHONG BIO provides custom synthesis services for DEAP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.