A3552/0150599
TL;DR: A3552/0150599 (CAS 695220-12-3) is a chemical compound with molecular formula C19H19ClN2O4S and molecular weight 406.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-3,8,8-trimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
Also Known As: A3552/0150599, 3-(2-((2-chlorophenyl)amino)thiazol-4-yl)-3,8,8-trimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione, 3-[2-(2-CHLOROANILINO)-1,3-THIAZOL-4-YL]-3,8,8-TRIMETHYL-2,7-DIOXASPIRO[4.4]NONANE-1,6-DIONE, 3-{(2Z)-2-[(2-chlorophenyl)imino]-2,3-dihydro-1,3-thiazol-4-yl}-3,8,8-trimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione, 3-{2-[(2-chlorophenyl)amino]-1,3-thiazol-4-yl}-3,8,8-trimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
| Molecular Formula | C19H19ClN2O4S |
|---|---|
| Molecular Weight | 406.08 g/mol |
| LogP | 4.4141 |
| Topological Polar Surface Area | 77.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.0754 |
| Heavy Atoms | 27 |
| Complexity | 943.2958 |
Chemical Identifiers
| CAS Number | 695220-12-3 |
|---|---|
| SMILES | CC1(CC2(CC(OC2=O)(C)C3=CSC(=N3)NC4=CC=CC=C4Cl)C(=O)O1)C |
Product Overview
A3552/0150599 (CAS 695220-12-3), with molecular formula C19H19ClN2O4S and molecular weight 406.08 g/mol. IUPAC: 3-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-3,8,8-trimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione.
Chemical Property Profile of A3552/0150599
Property Insights of A3552/0150599
The XLogP value of 4.4141 indicates that A3552/0150599 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.52 Ų falls within the moderate polarity range, balancing permeability and solubility for A3552/0150599. Following Lipinski's Rule of Five, A3552/0150599 has 1 hydrogen bond donor(s) and 7 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 A3552/0150599?
The CAS number of A3552/0150599 is 695220-12-3.
What is the molecular formula of A3552/0150599?
The molecular formula of A3552/0150599 is C19H19ClN2O4S.
What is the molecular weight of A3552/0150599?
The molecular weight of A3552/0150599 is 406.08 g/mol.
Where can I buy A3552/0150599?
You can request a quote for A3552/0150599 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3552/0150599?
Yes, KEHONG BIO provides custom synthesis services for A3552/0150599 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.