N-Benzylgentiocrucin
TL;DR: N-Benzylgentiocrucin (CAS 587000-55-3) is a chemical compound with molecular formula C24H21N5O4S and molecular weight 475.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide
Also Known As: N-Benzylgentiocrucin, 2-{[4-Amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfan, Acetamide,2-[[4-amino-5- -4H-1,2,4-triazol-3-yl]thio]-N- -, Acetamide, 2-[[4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-3-dibenzofuranyl)- (9CI), acetamide,2-[[4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-3-dibenzofuranyl)-
| Molecular Formula | C24H21N5O4S |
|---|---|
| Molecular Weight | 475.13 g/mol |
| LogP | 4.3063 |
| Topological Polar Surface Area | 117.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 475.13144 |
| Heavy Atoms | 34 |
| Complexity | 1493.1147 |
Chemical Identifiers
| CAS Number | 587000-55-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=C(C=C4C5=CC=CC=C5OC4=C3)OC |
Product Overview
N-Benzylgentiocrucin (CAS 587000-55-3), with molecular formula C24H21N5O4S and molecular weight 475.13 g/mol. IUPAC: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide.
Chemical Property Profile of N-Benzylgentiocrucin
Property Insights of N-Benzylgentiocrucin
The XLogP value of 4.3063 indicates that N-Benzylgentiocrucin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.43 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzylgentiocrucin. Following Lipinski's Rule of Five, N-Benzylgentiocrucin has 2 hydrogen bond donor(s) and 8 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 N-Benzylgentiocrucin?
The CAS number of N-Benzylgentiocrucin is 587000-55-3.
What is the molecular formula of N-Benzylgentiocrucin?
The molecular formula of N-Benzylgentiocrucin is C24H21N5O4S.
What is the molecular weight of N-Benzylgentiocrucin?
The molecular weight of N-Benzylgentiocrucin is 475.13 g/mol.
Where can I buy N-Benzylgentiocrucin?
You can request a quote for N-Benzylgentiocrucin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzylgentiocrucin?
Yes, KEHONG BIO provides custom synthesis services for N-Benzylgentiocrucin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.