UPCMLD0ENAT5890582:001
TL;DR: UPCMLD0ENAT5890582:001 (CAS 379246-30-7) is a chemical compound with molecular formula C21H21N3OS and molecular weight 363.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,5-dimethylpyrrol-1-yl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-one
Also Known As: UPCMLD0ENAT5890582:001, F1142-6012, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-5-(4-isopropylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one, AF-399/40684366, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-5-[4-(propan-2-yl)phenyl]-3H,4H-thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C21H21N3OS |
|---|---|
| Molecular Weight | 363.14 g/mol |
| LogP | 4.97814 |
| Topological Polar Surface Area | 39.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.14053 |
| Heavy Atoms | 26 |
| Complexity | 1126.9297 |
Chemical Identifiers
| CAS Number | 379246-30-7 |
|---|---|
| SMILES | CC1=CC=C(N1N2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)C(C)C)C |
Product Overview
UPCMLD0ENAT5890582:001 (CAS 379246-30-7), with molecular formula C21H21N3OS and molecular weight 363.14 g/mol. IUPAC: 3-(2,5-dimethylpyrrol-1-yl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of UPCMLD0ENAT5890582:001
Property Insights of UPCMLD0ENAT5890582:001
The XLogP value of 4.97814 indicates that UPCMLD0ENAT5890582:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.82 Ų, UPCMLD0ENAT5890582:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5890582:001 has 0 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 UPCMLD0ENAT5890582:001?
The CAS number of UPCMLD0ENAT5890582:001 is 379246-30-7.
What is the molecular formula of UPCMLD0ENAT5890582:001?
The molecular formula of UPCMLD0ENAT5890582:001 is C21H21N3OS.
What is the molecular weight of UPCMLD0ENAT5890582:001?
The molecular weight of UPCMLD0ENAT5890582:001 is 363.14 g/mol.
Where can I buy UPCMLD0ENAT5890582:001?
You can request a quote for UPCMLD0ENAT5890582:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5890582:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5890582:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.