A2742/0116506
TL;DR: A2742/0116506 (CAS 6291-39-0) is a chemical compound with molecular formula C23H21ClN4O3S and molecular weight 468.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-6-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5-imino-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: A2742/0116506, (6Z)-6-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5-imino-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-6-{4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene}-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-6-({4-[(2-Chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-6-({4-[(2-CHLOROPHENYL)METHOXY]-3-METHOXYPHENYL}METHYLIDENE)-5-IMINO-2-(PROPAN-2-YL)-5H,6H,7H-[1,3,4]THIADIAZOLO[3,2-A]PYRIMIDIN-7-ONE
| Molecular Formula | C23H21ClN4O3S |
|---|---|
| Molecular Weight | 468.10 g/mol |
| LogP | 5.20277 |
| Topological Polar Surface Area | 87.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 468.1023 |
| Heavy Atoms | 32 |
| Complexity | 1189.514 |
Chemical Identifiers
| CAS Number | 6291-39-0 |
|---|---|
| SMILES | CC(C)C1=NN2C(=N)/C(=C/C3=CC(=C(C=C3)OCC4=CC=CC=C4Cl)OC)/C(=O)N=C2S1 |
Product Overview
A2742/0116506 (CAS 6291-39-0), with molecular formula C23H21ClN4O3S and molecular weight 468.10 g/mol. IUPAC: (6Z)-6-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5-imino-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of A2742/0116506
Property Insights of A2742/0116506
The XLogP value of 5.20277 indicates that A2742/0116506 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.34 Ų falls within the moderate polarity range, balancing permeability and solubility for A2742/0116506. Following Lipinski's Rule of Five, A2742/0116506 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 A2742/0116506?
The CAS number of A2742/0116506 is 6291-39-0.
What is the molecular formula of A2742/0116506?
The molecular formula of A2742/0116506 is C23H21ClN4O3S.
What is the molecular weight of A2742/0116506?
The molecular weight of A2742/0116506 is 468.10 g/mol.
Where can I buy A2742/0116506?
You can request a quote for A2742/0116506 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2742/0116506?
Yes, KEHONG BIO provides custom synthesis services for A2742/0116506 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.