UPCMLD0ENAT5454776:001
TL;DR: UPCMLD0ENAT5454776:001 (CAS 724701-75-1) is a chemical compound with molecular formula C14H16N6O2S and molecular weight 332.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(methylcarbamoyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: UPCMLD0ENAT5454776:001, AO-476/43380296, N-({[4-allyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N'-methylurea, N-(methylcarbamoyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(2-{[4-allyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N'-methylurea
| Molecular Formula | C14H16N6O2S |
|---|---|
| Molecular Weight | 332.11 g/mol |
| LogP | 1.0738 |
| Topological Polar Surface Area | 101.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.10553 |
| Heavy Atoms | 23 |
| Complexity | 700.548 |
Chemical Identifiers
| CAS Number | 724701-75-1 |
|---|---|
| SMILES | CNC(=O)NC(=O)CSC1=NN=C(N1CC=C)C2=CC=NC=C2 |
Product Overview
UPCMLD0ENAT5454776:001 (CAS 724701-75-1), with molecular formula C14H16N6O2S and molecular weight 332.11 g/mol. IUPAC: N-(methylcarbamoyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of UPCMLD0ENAT5454776:001
Property Insights of UPCMLD0ENAT5454776:001
The XLogP value of 1.0738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5454776:001. The TPSA of 101.8 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5454776:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5454776:001 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 UPCMLD0ENAT5454776:001?
The CAS number of UPCMLD0ENAT5454776:001 is 724701-75-1.
What is the molecular formula of UPCMLD0ENAT5454776:001?
The molecular formula of UPCMLD0ENAT5454776:001 is C14H16N6O2S.
What is the molecular weight of UPCMLD0ENAT5454776:001?
The molecular weight of UPCMLD0ENAT5454776:001 is 332.11 g/mol.
Where can I buy UPCMLD0ENAT5454776:001?
You can request a quote for UPCMLD0ENAT5454776:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5454776:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5454776:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.