![3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]methyl]chromen-4-one structure](/static/products/121/1212438-73-7.png)
3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]methyl]chromen-4-one
TL;DR: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]methyl]chromen-4-one (CAS 1212438-73-7) is a chemical compound with molecular formula C28H30N2O3S and molecular weight 474.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]chromen-4-one
Also Known As: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]methyl]chromen-4-one, 3-(benzo[d]thiazol-2-yl)-7-hydroxy-2-methyl-8-(((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl)-4H-chromen-4-one
| Molecular Formula | C28H30N2O3S |
|---|---|
| Molecular Weight | 474.20 g/mol |
| LogP | 6.48432 |
| Topological Polar Surface Area | 66.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 474.19772 |
| Heavy Atoms | 34 |
| Complexity | 1468.0931 |
Chemical Identifiers
| CAS Number | 1212438-73-7 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3C[C@]4(C[C@@H]3CC(C4)(C)C)C)C5=NC6=CC=CC=C6S5 |
Product Overview
3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]methyl]chromen-4-one (CAS 1212438-73-7), with molecular formula C28H30N2O3S and molecular weight 474.20 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]chromen-4-one.
Chemical Property Profile of 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]methyl]chromen-4-one
Property Insights of 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]methyl]chromen-4-one
The XLogP value of 6.48432 indicates that 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]methyl]chromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]methyl]chromen-4-one. Following Lipinski's Rule of Five, 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]methyl]chromen-4-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]methyl]chromen-4-one?
The CAS number of 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]methyl]chromen-4-one is 1212438-73-7.
What is the molecular formula of 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]methyl]chromen-4-one?
The molecular formula of 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]methyl]chromen-4-one is C28H30N2O3S.
What is the molecular weight of 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]methyl]chromen-4-one?
The molecular weight of 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]methyl]chromen-4-one is 474.20 g/mol.
Where can I buy 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]methyl]chromen-4-one?
You can request a quote for 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]methyl]chromen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]methyl]chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]methyl]chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.