AB00110329-01
TL;DR: AB00110329-01 (CAS 404857-74-5) is a chemical compound with molecular formula C20H16ClN5OS and molecular weight 409.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-2-(2-chlorophenyl)-6-[[4-(dimethylamino)phenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: AB00110329-01, AM-900/40673279, (6Z)-2-(2-chlorophenyl)-6-[4-(dimethylamino)benzylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-2-(2-chlorophenyl)-6-[[4-(dimethylamino)phenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-2-(2-chlorophenyl)-6-[(4-dimethylaminophenyl)methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C20H16ClN5OS |
|---|---|
| Molecular Weight | 409.08 g/mol |
| LogP | 4.07347 |
| Topological Polar Surface Area | 72.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.07642 |
| Heavy Atoms | 28 |
| Complexity | 1072.2585 |
Chemical Identifiers
| CAS Number | 404857-74-5 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)C4=CC=CC=C4Cl |
Product Overview
AB00110329-01 (CAS 404857-74-5), with molecular formula C20H16ClN5OS and molecular weight 409.08 g/mol. IUPAC: (6Z)-2-(2-chlorophenyl)-6-[[4-(dimethylamino)phenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of AB00110329-01
Property Insights of AB00110329-01
The XLogP value of 4.07347 indicates that AB00110329-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00110329-01. Following Lipinski's Rule of Five, AB00110329-01 has 1 hydrogen bond donor(s) and 5 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 AB00110329-01?
The CAS number of AB00110329-01 is 404857-74-5.
What is the molecular formula of AB00110329-01?
The molecular formula of AB00110329-01 is C20H16ClN5OS.
What is the molecular weight of AB00110329-01?
The molecular weight of AB00110329-01 is 409.08 g/mol.
Where can I buy AB00110329-01?
You can request a quote for AB00110329-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00110329-01?
Yes, KEHONG BIO provides custom synthesis services for AB00110329-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.