UPCMLD0ENAT0513-6004:001
TL;DR: UPCMLD0ENAT0513-6004:001 (CAS 496025-19-5) is a chemical compound with molecular formula C21H15FN2OS2 and molecular weight 394.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
Also Known As: UPCMLD0ENAT0513-6004:001, AF-399/40862958, 1-(4-fluorophenyl)-2-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone, 1-(4-fluorophenyl)-2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone, 1-(4-fluorophenyl)-2-(6-methyl-5-phenylthiopheno[3,2-e]pyrimidin-4-ylthio)etha n-1-one
| Molecular Formula | C21H15FN2OS2 |
|---|---|
| Molecular Weight | 394.06 g/mol |
| LogP | 5.78082 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.06097 |
| Heavy Atoms | 27 |
| Complexity | 1108.4519 |
Chemical Identifiers
| CAS Number | 496025-19-5 |
|---|---|
| SMILES | CC1=C(C2=C(S1)N=CN=C2SCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4 |
Product Overview
UPCMLD0ENAT0513-6004:001 (CAS 496025-19-5), with molecular formula C21H15FN2OS2 and molecular weight 394.06 g/mol. IUPAC: 1-(4-fluorophenyl)-2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone.
Chemical Property Profile of UPCMLD0ENAT0513-6004:001
Property Insights of UPCMLD0ENAT0513-6004:001
The XLogP value of 5.78082 indicates that UPCMLD0ENAT0513-6004:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.85 Ų, UPCMLD0ENAT0513-6004:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-6004:001 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0513-6004:001?
The CAS number of UPCMLD0ENAT0513-6004:001 is 496025-19-5.
What is the molecular formula of UPCMLD0ENAT0513-6004:001?
The molecular formula of UPCMLD0ENAT0513-6004:001 is C21H15FN2OS2.
What is the molecular weight of UPCMLD0ENAT0513-6004:001?
The molecular weight of UPCMLD0ENAT0513-6004:001 is 394.06 g/mol.
Where can I buy UPCMLD0ENAT0513-6004:001?
You can request a quote for UPCMLD0ENAT0513-6004:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-6004:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-6004:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.