![3-Benzyl-8,9-dimethoxy-5,6-dihydro-3H-naphtho[1,2-E][1,2]thiazin-2(4ah)-one 4,4-dioxide structure](/static/products/405/40535-18-0.png)
3-Benzyl-8,9-dimethoxy-5,6-dihydro-3H-naphtho[1,2-E][1,2]thiazin-2(4ah)-one 4,4-dioxide
TL;DR: 3-Benzyl-8,9-dimethoxy-5,6-dihydro-3H-naphtho[1,2-E][1,2]thiazin-2(4ah)-one 4,4-dioxide (CAS 40535-18-0) is a chemical compound with molecular formula C21H21NO5S and molecular weight 399.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-8,9-dimethoxy-4,4-dioxo-5,6-dihydro-4aH-benzo[f][1,2]benzothiazin-2-one
Also Known As: 3-Benzyl-8,9-dimethoxy-5,6-dihydro-3H-naphtho[1,2-E][1,2]thiazin-2(4ah)-one 4,4-dioxide, 3H-Naphtho[1,2-e][1,2]thiazin-2(4aH)-one, 5,6-dihydro-8,9-dimethoxy-3-(phenylmethyl)-, 4,4-dioxide, 3-benzyl-8,9-dimethoxy-4,4-dioxo-5,6-dihydro-4aH-benzo[f][1,2]benzothiazin-2-one, 5,6-Dihydro-8,9-dimethoxy-3- -3H-naphtho[1,2-e][1,2]thiazin-2 -one4,4-dioxide, 3-Benzyl-8,9-dimethoxy-5,6-dihydro-3H-naphtho[1,2-E][1,2]thiazin-2(4ah)-one 4,4-dioxide #
| Molecular Formula | C21H21NO5S |
|---|---|
| Molecular Weight | 399.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.11404 |
| Heavy Atoms | 28 |
| Complexity | 722.0 |
Chemical Identifiers
| CAS Number | 40535-18-0 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CCC3C2=CC(=O)N(S3(=O)=O)CC4=CC=CC=C4)OC |
| InChIKey | RIJXBFFBAPQJJA-UHFFFAOYSA-N |
Product Overview
3-Benzyl-8,9-dimethoxy-5,6-dihydro-3H-naphtho[1,2-E][1,2]thiazin-2(4ah)-one 4,4-dioxide (CAS 40535-18-0), with molecular formula C21H21NO5S and molecular weight 399.11 g/mol. IUPAC: 3-benzyl-8,9-dimethoxy-4,4-dioxo-5,6-dihydro-4aH-benzo[f][1,2]benzothiazin-2-one.
Chemical Property Profile of 3-Benzyl-8,9-dimethoxy-5,6-dihydro-3H-naphtho[1,2-E][1,2]thiazin-2(4ah)-one 4,4-dioxide
Property Insights of 3-Benzyl-8,9-dimethoxy-5,6-dihydro-3H-naphtho[1,2-E][1,2]thiazin-2(4ah)-one 4,4-dioxide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-8,9-dimethoxy-5,6-dihydro-3H-naphtho[1,2-E][1,2]thiazin-2(4ah)-one 4,4-dioxide. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzyl-8,9-dimethoxy-5,6-dihydro-3H-naphtho[1,2-E][1,2]thiazin-2(4ah)-one 4,4-dioxide. Following Lipinski's Rule of Five, 3-Benzyl-8,9-dimethoxy-5,6-dihydro-3H-naphtho[1,2-E][1,2]thiazin-2(4ah)-one 4,4-dioxide has 0 hydrogen bond donor(s) and 5 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 3-Benzyl-8,9-dimethoxy-5,6-dihydro-3H-naphtho[1,2-E][1,2]thiazin-2(4ah)-one 4,4-dioxide?
The CAS number of 3-Benzyl-8,9-dimethoxy-5,6-dihydro-3H-naphtho[1,2-E][1,2]thiazin-2(4ah)-one 4,4-dioxide is 40535-18-0.
What is the molecular formula of 3-Benzyl-8,9-dimethoxy-5,6-dihydro-3H-naphtho[1,2-E][1,2]thiazin-2(4ah)-one 4,4-dioxide?
The molecular formula of 3-Benzyl-8,9-dimethoxy-5,6-dihydro-3H-naphtho[1,2-E][1,2]thiazin-2(4ah)-one 4,4-dioxide is C21H21NO5S.
What is the molecular weight of 3-Benzyl-8,9-dimethoxy-5,6-dihydro-3H-naphtho[1,2-E][1,2]thiazin-2(4ah)-one 4,4-dioxide?
The molecular weight of 3-Benzyl-8,9-dimethoxy-5,6-dihydro-3H-naphtho[1,2-E][1,2]thiazin-2(4ah)-one 4,4-dioxide is 399.11 g/mol.
Where can I buy 3-Benzyl-8,9-dimethoxy-5,6-dihydro-3H-naphtho[1,2-E][1,2]thiazin-2(4ah)-one 4,4-dioxide?
You can request a quote for 3-Benzyl-8,9-dimethoxy-5,6-dihydro-3H-naphtho[1,2-E][1,2]thiazin-2(4ah)-one 4,4-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-8,9-dimethoxy-5,6-dihydro-3H-naphtho[1,2-E][1,2]thiazin-2(4ah)-one 4,4-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-8,9-dimethoxy-5,6-dihydro-3H-naphtho[1,2-E][1,2]thiazin-2(4ah)-one 4,4-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.