UPCMLD0ENAT5961918:001
TL;DR: UPCMLD0ENAT5961918:001 (CAS 371131-95-2) is a chemical compound with molecular formula C23H20ClN3O4S and molecular weight 469.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(4-chlorophenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Also Known As: UPCMLD0ENAT5961918:001, AO-022/41370206, 5-(4-chlorophenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[4-(propan-2-yloxy)benzoyl]-2,5-dihydro-1H-pyrrol-2-one, 5-(4-chlorophenyl)-3-hydroxy-4-(4-isopropoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-5-(4-chlorophenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
| Molecular Formula | C23H20ClN3O4S |
|---|---|
| Molecular Weight | 469.09 g/mol |
| LogP | 4.91342 |
| Topological Polar Surface Area | 92.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 469.0863 |
| Heavy Atoms | 32 |
| Complexity | 1202.7393 |
Chemical Identifiers
| CAS Number | 371131-95-2 |
|---|---|
| SMILES | CC1=NN=C(S1)N2C(/C(=C(/C3=CC=C(C=C3)OC(C)C)\O)/C(=O)C2=O)C4=CC=C(C=C4)Cl |
Product Overview
UPCMLD0ENAT5961918:001 (CAS 371131-95-2), with molecular formula C23H20ClN3O4S and molecular weight 469.09 g/mol. IUPAC: (4E)-5-(4-chlorophenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione.
Chemical Property Profile of UPCMLD0ENAT5961918:001
Property Insights of UPCMLD0ENAT5961918:001
The XLogP value of 4.91342 indicates that UPCMLD0ENAT5961918:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.62 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5961918:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5961918:001 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 UPCMLD0ENAT5961918:001?
The CAS number of UPCMLD0ENAT5961918:001 is 371131-95-2.
What is the molecular formula of UPCMLD0ENAT5961918:001?
The molecular formula of UPCMLD0ENAT5961918:001 is C23H20ClN3O4S.
What is the molecular weight of UPCMLD0ENAT5961918:001?
The molecular weight of UPCMLD0ENAT5961918:001 is 469.09 g/mol.
Where can I buy UPCMLD0ENAT5961918:001?
You can request a quote for UPCMLD0ENAT5961918:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5961918:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5961918:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.