![methyl 7-acetyl-1-(4-methoxyphenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate structure](/static/products/670/670262-97-2.png)
methyl 7-acetyl-1-(4-methoxyphenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
TL;DR: methyl 7-acetyl-1-(4-methoxyphenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate (CAS 670262-97-2) is a chemical compound with molecular formula C22H21N3O4S2 and molecular weight 455.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-acetyl-4-(4-methoxyphenyl)-8-methyl-9-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]nona-2,7-diene-2-carboxylate
Also Known As: methyl 7-acetyl-1-(4-methoxyphenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate, methyl 3-acetyl-6-(4-methoxyphenyl)-2-methyl-1-phenyl-4,9-dithia-1,6,7-triazaspiro[4.4]nona-2,7-diene-8-carboxylate
| Molecular Formula | C22H21N3O4S2 |
|---|---|
| Molecular Weight | 455.10 g/mol |
| LogP | 4.4201 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.09735 |
| Heavy Atoms | 31 |
| Complexity | 1085.6947 |
Chemical Identifiers
| CAS Number | 670262-97-2 |
|---|---|
| SMILES | CC1=C(SC2(N1C3=CC=CC=C3)N(N=C(S2)C(=O)OC)C4=CC=C(C=C4)OC)C(=O)C |
Product Overview
methyl 7-acetyl-1-(4-methoxyphenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate (CAS 670262-97-2), with molecular formula C22H21N3O4S2 and molecular weight 455.10 g/mol. IUPAC: methyl 7-acetyl-4-(4-methoxyphenyl)-8-methyl-9-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]nona-2,7-diene-2-carboxylate.
Chemical Property Profile of methyl 7-acetyl-1-(4-methoxyphenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
Property Insights of methyl 7-acetyl-1-(4-methoxyphenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
The XLogP value of 4.4201 indicates that methyl 7-acetyl-1-(4-methoxyphenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 7-acetyl-1-(4-methoxyphenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate. Following Lipinski's Rule of Five, methyl 7-acetyl-1-(4-methoxyphenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate has 0 hydrogen bond donor(s) and 9 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 methyl 7-acetyl-1-(4-methoxyphenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate?
The CAS number of methyl 7-acetyl-1-(4-methoxyphenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate is 670262-97-2.
What is the molecular formula of methyl 7-acetyl-1-(4-methoxyphenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate?
The molecular formula of methyl 7-acetyl-1-(4-methoxyphenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate is C22H21N3O4S2.
What is the molecular weight of methyl 7-acetyl-1-(4-methoxyphenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate?
The molecular weight of methyl 7-acetyl-1-(4-methoxyphenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate is 455.10 g/mol.
Where can I buy methyl 7-acetyl-1-(4-methoxyphenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate?
You can request a quote for methyl 7-acetyl-1-(4-methoxyphenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 7-acetyl-1-(4-methoxyphenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 7-acetyl-1-(4-methoxyphenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.