UPCMLD0ENAT5874171:001
TL;DR: UPCMLD0ENAT5874171:001 (CAS 536722-87-9) is a chemical compound with molecular formula C17H13ClFN3O3S and molecular weight 393.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloro-6-fluorophenyl)-N-(furan-2-ylmethylcarbamothioyl)-5-methyl-1,2-oxazole-4-carboxamide
Also Known As: UPCMLD0ENAT5874171:001, F1201-0180, 3-(2-chloro-6-fluorophenyl)-N-((furan-2-ylmethyl)carbamothioyl)-5-methylisoxazole-4-carboxamide, 3-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[(furan-2-yl)methyl]thiourea, 3-(2-chloro-6-fluorophenyl)-N-(furan-2-ylmethylcarbamothioyl)-5-methyl-1,2-oxazole-4-carboxamide
| Molecular Formula | C17H13ClFN3O3S |
|---|---|
| Molecular Weight | 393.04 g/mol |
| LogP | 3.84002 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.035 |
| Heavy Atoms | 26 |
| Complexity | 936.07623 |
Chemical Identifiers
| CAS Number | 536722-87-9 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC(=S)NCC3=CC=CO3 |
Product Overview
UPCMLD0ENAT5874171:001 (CAS 536722-87-9), with molecular formula C17H13ClFN3O3S and molecular weight 393.04 g/mol. IUPAC: 3-(2-chloro-6-fluorophenyl)-N-(furan-2-ylmethylcarbamothioyl)-5-methyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of UPCMLD0ENAT5874171:001
Property Insights of UPCMLD0ENAT5874171:001
The XLogP value of 3.84002 indicates that UPCMLD0ENAT5874171:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5874171:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5874171:001 has 2 hydrogen bond donor(s) and 5 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 UPCMLD0ENAT5874171:001?
The CAS number of UPCMLD0ENAT5874171:001 is 536722-87-9.
What is the molecular formula of UPCMLD0ENAT5874171:001?
The molecular formula of UPCMLD0ENAT5874171:001 is C17H13ClFN3O3S.
What is the molecular weight of UPCMLD0ENAT5874171:001?
The molecular weight of UPCMLD0ENAT5874171:001 is 393.04 g/mol.
Where can I buy UPCMLD0ENAT5874171:001?
You can request a quote for UPCMLD0ENAT5874171:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5874171:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5874171:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.