UPCMLD0ENAT0515-7658:001
TL;DR: UPCMLD0ENAT0515-7658:001 (CAS 5635-72-3) is a chemical compound with molecular formula C14H18N4O2S and molecular weight 306.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-hydroxyethyl)thiourea
Also Known As: UPCMLD0ENAT0515-7658:001, 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(2-hydroxyethyl)thiourea, F0300-0169, 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-hydroxyethyl)thiourea, 4-({[(2-hydroxyethyl)amino]thioxomethyl}amino)-2,3-dimethyl-1-phenyl-3-pyrazol in-5-one
| Molecular Formula | C14H18N4O2S |
|---|---|
| Molecular Weight | 306.12 g/mol |
| LogP | 0.76312 |
| Topological Polar Surface Area | 71.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.11505 |
| Heavy Atoms | 21 |
| Complexity | 690.9898 |
Chemical Identifiers
| CAS Number | 5635-72-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NCCO |
Product Overview
UPCMLD0ENAT0515-7658:001 (CAS 5635-72-3), with molecular formula C14H18N4O2S and molecular weight 306.12 g/mol. IUPAC: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-hydroxyethyl)thiourea.
Chemical Property Profile of UPCMLD0ENAT0515-7658:001
Property Insights of UPCMLD0ENAT0515-7658:001
The XLogP value of 0.76312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT0515-7658:001. The TPSA of 71.22 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0515-7658:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0515-7658:001 has 3 hydrogen bond donor(s) and 3 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 UPCMLD0ENAT0515-7658:001?
The CAS number of UPCMLD0ENAT0515-7658:001 is 5635-72-3.
What is the molecular formula of UPCMLD0ENAT0515-7658:001?
The molecular formula of UPCMLD0ENAT0515-7658:001 is C14H18N4O2S.
What is the molecular weight of UPCMLD0ENAT0515-7658:001?
The molecular weight of UPCMLD0ENAT0515-7658:001 is 306.12 g/mol.
Where can I buy UPCMLD0ENAT0515-7658:001?
You can request a quote for UPCMLD0ENAT0515-7658:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0515-7658:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0515-7658:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.