C17H25N3O4S
TL;DR: C17H25N3O4S (CAS 858762-05-7) is a chemical compound with molecular formula C17H25N3O4S and molecular weight 367.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butan-2-yl-1-[2-[6-[(E)-hydroxyiminomethyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-1-methylthiourea
Also Known As: (E)-3-(sec-butyl)-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea, 3-butan-2-yl-1-(2-{6-[(E)-(hydroxyimino)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1-methylthiourea
| Molecular Formula | C17H25N3O4S |
|---|---|
| Molecular Weight | 367.16 g/mol |
| LogP | 2.3793 |
| Topological Polar Surface Area | 75.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 367.1566 |
| Heavy Atoms | 25 |
| Complexity | 651.2704 |
Chemical Identifiers
| CAS Number | 858762-05-7 |
|---|---|
| SMILES | CCC(C)NC(=S)N(C)CCC1=CC2=C(C(=C1/C=N/O)OC)OCO2 |
Product Overview
C17H25N3O4S (CAS 858762-05-7), with molecular formula C17H25N3O4S and molecular weight 367.16 g/mol. IUPAC: 3-butan-2-yl-1-[2-[6-[(E)-hydroxyiminomethyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-1-methylthiourea.
Chemical Property Profile of C17H25N3O4S
Property Insights of C17H25N3O4S
The XLogP value of 2.3793 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C17H25N3O4S. The TPSA of 75.55 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H25N3O4S. Following Lipinski's Rule of Five, C17H25N3O4S has 2 hydrogen bond donor(s) and 6 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 C17H25N3O4S?
The CAS number of C17H25N3O4S is 858762-05-7.
What is the molecular formula of C17H25N3O4S?
The molecular formula of C17H25N3O4S is C17H25N3O4S.
What is the molecular weight of C17H25N3O4S?
The molecular weight of C17H25N3O4S is 367.16 g/mol.
Where can I buy C17H25N3O4S?
You can request a quote for C17H25N3O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H25N3O4S?
Yes, KEHONG BIO provides custom synthesis services for C17H25N3O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.