A3156/0133509
TL;DR: A3156/0133509 (CAS 524032-87-9) is a chemical compound with molecular formula C22H20ClN3O3S2 and molecular weight 473.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetyl-4-(4-chlorophenyl)-8-methyl-9-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
Also Known As: A3156/0133509, ethyl 3-acetyl-1-(4-chlorophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate, ethyl 7-acetyl-9-(4-chlorophenyl)-3-methyl-4-phenyl-1,6-dithia-4,8,9-triazaspi ro[4.4]nona-2,7-diene-2-carboxylate, ethyl 8-acetyl-6-(4-chlorophenyl)-2-methyl-1-phenyl-4,9-dithia-1,6,7-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
| Molecular Formula | C22H20ClN3O3S2 |
|---|---|
| Molecular Weight | 473.06 g/mol |
| LogP | 5.455 |
| Topological Polar Surface Area | 62.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.06348 |
| Heavy Atoms | 31 |
| Complexity | 1088.9398 |
Chemical Identifiers
| CAS Number | 524032-87-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2(S1)N(N=C(S2)C(=O)C)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C |
Product Overview
A3156/0133509 (CAS 524032-87-9), with molecular formula C22H20ClN3O3S2 and molecular weight 473.06 g/mol. IUPAC: ethyl 2-acetyl-4-(4-chlorophenyl)-8-methyl-9-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate.
Chemical Property Profile of A3156/0133509
Property Insights of A3156/0133509
The XLogP value of 5.455 indicates that A3156/0133509 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.21 Ų falls within the moderate polarity range, balancing permeability and solubility for A3156/0133509. Following Lipinski's Rule of Five, A3156/0133509 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3156/0133509?
The CAS number of A3156/0133509 is 524032-87-9.
What is the molecular formula of A3156/0133509?
The molecular formula of A3156/0133509 is C22H20ClN3O3S2.
What is the molecular weight of A3156/0133509?
The molecular weight of A3156/0133509 is 473.06 g/mol.
Where can I buy A3156/0133509?
You can request a quote for A3156/0133509 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3156/0133509?
Yes, KEHONG BIO provides custom synthesis services for A3156/0133509 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.