N-Benzylgentiocrucin
TL;DR: N-Benzylgentiocrucin (CAS 587005-46-7) is a chemical compound with molecular formula C23H18ClN5O3S and molecular weight 479.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide
Also Known As: N-Benzylgentiocrucin, 2-((4-amino-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide, Acetamide, 2-[[4-amino-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-3-dibenzofuranyl)- (9CI), acetamide,2-[[4-amino-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-3-dibenzofuranyl)-, 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide
| Molecular Formula | C23H18ClN5O3S |
|---|---|
| Molecular Weight | 479.08 g/mol |
| LogP | 4.9511 |
| Topological Polar Surface Area | 108.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.08188 |
| Heavy Atoms | 33 |
| Complexity | 1496.5662 |
Chemical Identifiers
| CAS Number | 587005-46-7 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)CSC4=NN=C(N4N)C5=CC(=CC=C5)Cl |
Product Overview
N-Benzylgentiocrucin (CAS 587005-46-7), with molecular formula C23H18ClN5O3S and molecular weight 479.08 g/mol. IUPAC: 2-[[4-amino-5-(3-chlorophenyl)-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 4.9511 indicates that N-Benzylgentiocrucin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.2 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 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 N-Benzylgentiocrucin?
The CAS number of N-Benzylgentiocrucin is 587005-46-7.
What is the molecular formula of N-Benzylgentiocrucin?
The molecular formula of N-Benzylgentiocrucin is C23H18ClN5O3S.
What is the molecular weight of N-Benzylgentiocrucin?
The molecular weight of N-Benzylgentiocrucin is 479.08 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.