TL;DR: ASN 03780004 (CAS 1031794-79-2) is a chemical compound with molecular formula C26H29N5O4S and molecular weight 507.19403 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-5-N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-5-N-(3-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
Also Known As: ASN 03780004, 4-Amino-N5-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N5-(3-methylphenyl)-3,5-isothiazoledicarboxamide, 4-amino-5-N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-5-N-(3-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
| Molecular Formula | C26H29N5O4S |
| Molecular Weight | 507.19403 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 180.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 507.19403 Da |
| Heavy Atoms | 36 |
| Complexity | 786.0 |
| SMILES | CC1=CC(=CC=C1)N(C(C2=CC=C(C=C2)O)C(=O)NC3CCCCC3)C(=O)C4=C(C(=NS4)C(=O)N)N |
| InChIKey | LDZGWNKWBGYYFZ-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that ASN 03780004 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 180.0 Ų indicates high polarity, suggesting ASN 03780004 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ASN 03780004 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of ASN 03780004 is 1031794-79-2.
The molecular formula of ASN 03780004 is C26H29N5O4S.
The molecular weight of ASN 03780004 is 507.19403 g/mol.
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