UPCMLD0ENAT5890590:001
TL;DR: UPCMLD0ENAT5890590:001 (CAS 379249-75-9) is a chemical compound with molecular formula C22H21N3O2S2 and molecular weight 423.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-5-(4-methylphenyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
Also Known As: UPCMLD0ENAT5890590:001, 3-allyl-2-(((3,5-dimethylisoxazol-4-yl)methyl)thio)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4(3H)-one, AF-399/15336005, F1143-2116, 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-5-(4-methylphenyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C22H21N3O2S2 |
|---|---|
| Molecular Weight | 423.11 g/mol |
| LogP | 5.51656 |
| Topological Polar Surface Area | 60.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.1075 |
| Heavy Atoms | 29 |
| Complexity | 1230.2825 |
Chemical Identifiers
| CAS Number | 379249-75-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=C(ON=C4C)C)CC=C |
Product Overview
UPCMLD0ENAT5890590:001 (CAS 379249-75-9), with molecular formula C22H21N3O2S2 and molecular weight 423.11 g/mol. IUPAC: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-5-(4-methylphenyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of UPCMLD0ENAT5890590:001
Property Insights of UPCMLD0ENAT5890590:001
The XLogP value of 5.51656 indicates that UPCMLD0ENAT5890590:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.92 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5890590:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5890590:001 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5890590:001?
The CAS number of UPCMLD0ENAT5890590:001 is 379249-75-9.
What is the molecular formula of UPCMLD0ENAT5890590:001?
The molecular formula of UPCMLD0ENAT5890590:001 is C22H21N3O2S2.
What is the molecular weight of UPCMLD0ENAT5890590:001?
The molecular weight of UPCMLD0ENAT5890590:001 is 423.11 g/mol.
Where can I buy UPCMLD0ENAT5890590:001?
You can request a quote for UPCMLD0ENAT5890590:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5890590:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5890590:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.