AMS_CNC_ID-444051690
TL;DR: AMS_CNC_ID-444051690 (CAS 578749-08-3) is a chemical compound with molecular formula C21H18ClN5O3S and molecular weight 455.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methoxyphenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AMS_CNC_ID-444051690, N-(3-chloro-4-methoxyphenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3-chloro-4-methoxyphenyl)-2-((4-(furan-2-ylmethyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3-chloro-4-methoxyphenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3-chloro-4-methoxyphenyl)-2-[4-(2-furylmethyl)-5-(2-pyridyl)(1,2,4-triazol- 3-ylthio)]acetamide
| Molecular Formula | C21H18ClN5O3S |
|---|---|
| Molecular Weight | 455.08 g/mol |
| LogP | 4.3742 |
| Topological Polar Surface Area | 95.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.08188 |
| Heavy Atoms | 31 |
| Complexity | 1165.2441 |
Chemical Identifiers
| CAS Number | 578749-08-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=N4)Cl |
Product Overview
AMS_CNC_ID-444051690 (CAS 578749-08-3), with molecular formula C21H18ClN5O3S and molecular weight 455.08 g/mol. IUPAC: N-(3-chloro-4-methoxyphenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AMS_CNC_ID-444051690
Property Insights of AMS_CNC_ID-444051690
The XLogP value of 4.3742 indicates that AMS_CNC_ID-444051690 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.07 Ų falls within the moderate polarity range, balancing permeability and solubility for AMS_CNC_ID-444051690. Following Lipinski's Rule of Five, AMS_CNC_ID-444051690 has 1 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 AMS_CNC_ID-444051690?
The CAS number of AMS_CNC_ID-444051690 is 578749-08-3.
What is the molecular formula of AMS_CNC_ID-444051690?
The molecular formula of AMS_CNC_ID-444051690 is C21H18ClN5O3S.
What is the molecular weight of AMS_CNC_ID-444051690?
The molecular weight of AMS_CNC_ID-444051690 is 455.08 g/mol.
Where can I buy AMS_CNC_ID-444051690?
You can request a quote for AMS_CNC_ID-444051690 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AMS_CNC_ID-444051690?
Yes, KEHONG BIO provides custom synthesis services for AMS_CNC_ID-444051690 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.