methyl 40673590
TL;DR: methyl 40673590 (CAS 428830-69-7) is a chemical compound with molecular formula C24H15ClN4O4S and molecular weight 490.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[5-[(Z)-[2-(2-chlorophenyl)-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]furan-2-yl]benzoate
Also Known As: methyl 40673590, AM-900/40673488, methyl 4-[5-[(Z)-[2-(2-chlorophenyl)-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]furan-2-yl]benzoate, (Z)-methyl 4-(5-((2-(2-chlorophenyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoate, methyl 4-(5-{(Z)-[2-(2-chlorophenyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-2-furyl)benzoate
| Molecular Formula | C24H15ClN4O4S |
|---|---|
| Molecular Weight | 490.05 g/mol |
| LogP | 5.05407 |
| Topological Polar Surface Area | 108.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 490.05026 |
| Heavy Atoms | 34 |
| Complexity | 1439.1595 |
Chemical Identifiers
| CAS Number | 428830-69-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)C5=CC=CC=C5Cl |
Product Overview
methyl 40673590 (CAS 428830-69-7), with molecular formula C24H15ClN4O4S and molecular weight 490.05 g/mol. IUPAC: methyl 4-[5-[(Z)-[2-(2-chlorophenyl)-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]furan-2-yl]benzoate.
Chemical Property Profile of methyl 40673590
Property Insights of methyl 40673590
The XLogP value of 5.05407 indicates that methyl 40673590 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.32 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 40673590. Following Lipinski's Rule of Five, methyl 40673590 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 40673590?
The CAS number of methyl 40673590 is 428830-69-7.
What is the molecular formula of methyl 40673590?
The molecular formula of methyl 40673590 is C24H15ClN4O4S.
What is the molecular weight of methyl 40673590?
The molecular weight of methyl 40673590 is 490.05 g/mol.
Where can I buy methyl 40673590?
You can request a quote for methyl 40673590 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 40673590?
Yes, KEHONG BIO provides custom synthesis services for methyl 40673590 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.