UPCMLD0ENAT5762431:001
TL;DR: UPCMLD0ENAT5762431:001 (CAS 329796-04-5) is a chemical compound with molecular formula C14H13ClN4O and molecular weight 288.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
Also Known As: UPCMLD0ENAT5762431:001, BAS 03313935, 1-[7-(4-chlorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone, AF-399/14218034, 1-[7-(4-Chlorophenyl)-1,7-dihydro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
| Molecular Formula | C14H13ClN4O |
|---|---|
| Molecular Weight | 288.08 g/mol |
| LogP | 2.8094 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.0778 |
| Heavy Atoms | 20 |
| Complexity | 702.21893 |
Chemical Identifiers
| CAS Number | 329796-04-5 |
|---|---|
| SMILES | CC1=C(C(N2C(=NC=N2)N1)C3=CC=C(C=C3)Cl)C(=O)C |
Product Overview
UPCMLD0ENAT5762431:001 (CAS 329796-04-5), with molecular formula C14H13ClN4O and molecular weight 288.08 g/mol. IUPAC: 1-[7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone.
Chemical Property Profile of UPCMLD0ENAT5762431:001
Property Insights of UPCMLD0ENAT5762431:001
The XLogP value of 2.8094 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5762431:001. With a topological polar surface area (TPSA) of 59.81 Ų, UPCMLD0ENAT5762431:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5762431:001 has 1 hydrogen bond donor(s) and 4 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 UPCMLD0ENAT5762431:001?
The CAS number of UPCMLD0ENAT5762431:001 is 329796-04-5.
What is the molecular formula of UPCMLD0ENAT5762431:001?
The molecular formula of UPCMLD0ENAT5762431:001 is C14H13ClN4O.
What is the molecular weight of UPCMLD0ENAT5762431:001?
The molecular weight of UPCMLD0ENAT5762431:001 is 288.08 g/mol.
Where can I buy UPCMLD0ENAT5762431:001?
You can request a quote for UPCMLD0ENAT5762431:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5762431:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5762431:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.