![11-methyl-1,2,3,4,4a,12a-hexahydrodibenzo[d,g][1,6,3]oxathiazocin-6(7H)-one structure](/static/products/1896/189690-63-9.webp)
11-methyl-1,2,3,4,4a,12a-hexahydrodibenzo[d,g][1,6,3]oxathiazocin-6(7H)-one
TL;DR: 11-methyl-1,2,3,4,4a,12a-hexahydrodibenzo[d,g][1,6,3]oxathiazocin-6(7H)-one (CAS 189690-63-9) is a chemical compound with molecular formula C14H17NO2S and molecular weight 263.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-6,7,8,9,9a,12-hexahydro-5aH-benzo[d][3,6,1]benzoxathiazocin-11-one
Also Known As: BAS 05210323, AB00122315-01, 11-methyl-1,2,3,4,4a,12a-hexahydrodibenzo[d,g][1,6,3]oxathiazocin-6(7H)-one, 4-methyl-6,7,8,9,9a,12-hexahydro-5aH-benzo[d][3,6,1]benzoxathiazocin-11-one
| Molecular Formula | C14H17NO2S |
|---|---|
| Molecular Weight | 263.10 g/mol |
| LogP | 3.96042 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 263.098 |
| Heavy Atoms | 18 |
| Complexity | 474.86185 |
Chemical Identifiers
| CAS Number | 189690-63-9 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)NC(=O)OC3CCCCC3S2 |
Product Overview
11-methyl-1,2,3,4,4a,12a-hexahydrodibenzo[d,g][1,6,3]oxathiazocin-6(7H)-one (CAS 189690-63-9), with molecular formula C14H17NO2S and molecular weight 263.10 g/mol. IUPAC: 4-methyl-6,7,8,9,9a,12-hexahydro-5aH-benzo[d][3,6,1]benzoxathiazocin-11-one.
Chemical Property Profile of 11-methyl-1,2,3,4,4a,12a-hexahydrodibenzo[d,g][1,6,3]oxathiazocin-6(7H)-one
Property Insights of 11-methyl-1,2,3,4,4a,12a-hexahydrodibenzo[d,g][1,6,3]oxathiazocin-6(7H)-one
The XLogP value of 3.96042 indicates that 11-methyl-1,2,3,4,4a,12a-hexahydrodibenzo[d,g][1,6,3]oxathiazocin-6(7H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, 11-methyl-1,2,3,4,4a,12a-hexahydrodibenzo[d,g][1,6,3]oxathiazocin-6(7H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11-methyl-1,2,3,4,4a,12a-hexahydrodibenzo[d,g][1,6,3]oxathiazocin-6(7H)-one has 1 hydrogen bond donor(s) and 3 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 11-methyl-1,2,3,4,4a,12a-hexahydrodibenzo[d,g][1,6,3]oxathiazocin-6(7H)-one?
The CAS number of 11-methyl-1,2,3,4,4a,12a-hexahydrodibenzo[d,g][1,6,3]oxathiazocin-6(7H)-one is 189690-63-9.
What is the molecular formula of 11-methyl-1,2,3,4,4a,12a-hexahydrodibenzo[d,g][1,6,3]oxathiazocin-6(7H)-one?
The molecular formula of 11-methyl-1,2,3,4,4a,12a-hexahydrodibenzo[d,g][1,6,3]oxathiazocin-6(7H)-one is C14H17NO2S.
What is the molecular weight of 11-methyl-1,2,3,4,4a,12a-hexahydrodibenzo[d,g][1,6,3]oxathiazocin-6(7H)-one?
The molecular weight of 11-methyl-1,2,3,4,4a,12a-hexahydrodibenzo[d,g][1,6,3]oxathiazocin-6(7H)-one is 263.10 g/mol.
Where can I buy 11-methyl-1,2,3,4,4a,12a-hexahydrodibenzo[d,g][1,6,3]oxathiazocin-6(7H)-one?
You can request a quote for 11-methyl-1,2,3,4,4a,12a-hexahydrodibenzo[d,g][1,6,3]oxathiazocin-6(7H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-methyl-1,2,3,4,4a,12a-hexahydrodibenzo[d,g][1,6,3]oxathiazocin-6(7H)-one?
Yes, KEHONG BIO provides custom synthesis services for 11-methyl-1,2,3,4,4a,12a-hexahydrodibenzo[d,g][1,6,3]oxathiazocin-6(7H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.