AF-399/42100332
TL;DR: AF-399/42100332 (CAS 385386-79-8) is a chemical compound with molecular formula C27H29N3O4S and molecular weight 491.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(4-tert-butylphenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Also Known As: AF-399/42100332, (4E)-5-(4-tert-butylphenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione, 5-(4-tert-butylphenyl)-3-hydroxy-4-(4-isopropoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-5-(4-tert-butylphenyl)-4-{hydroxy[4-(propan-2-yloxy)phenyl]methylidene}-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione, 5-(4-(tert-butyl)phenyl)-3-hydroxy-4-(4-isopropoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C27H29N3O4S |
|---|---|
| Molecular Weight | 491.19 g/mol |
| LogP | 5.55752 |
| Topological Polar Surface Area | 92.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.18787 |
| Heavy Atoms | 35 |
| Complexity | 1285.2106 |
Chemical Identifiers
| CAS Number | 385386-79-8 |
|---|---|
| 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)C(C)(C)C |
Product Overview
AF-399/42100332 (CAS 385386-79-8), with molecular formula C27H29N3O4S and molecular weight 491.19 g/mol. IUPAC: (4E)-5-(4-tert-butylphenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/42100332
Property Insights of AF-399/42100332
The XLogP value of 5.55752 indicates that AF-399/42100332 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 AF-399/42100332. Following Lipinski's Rule of Five, AF-399/42100332 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 AF-399/42100332?
The CAS number of AF-399/42100332 is 385386-79-8.
What is the molecular formula of AF-399/42100332?
The molecular formula of AF-399/42100332 is C27H29N3O4S.
What is the molecular weight of AF-399/42100332?
The molecular weight of AF-399/42100332 is 491.19 g/mol.
Where can I buy AF-399/42100332?
You can request a quote for AF-399/42100332 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42100332?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42100332 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.