UPCMLD0ENAT0509-5709:001
TL;DR: UPCMLD0ENAT0509-5709:001 (CAS 315679-01-7) is a chemical compound with molecular formula C25H22N2O2S2 and molecular weight 446.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethyl-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
Also Known As: UPCMLD0ENAT0509-5709:001, 3-ALLYL-2-[(2-[1,1'-BIPHENYL]-4-YL-2-OXOETHYL)SULFANYL]-5,6-DIMETHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, 5,6-dimethyl-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one, 5,6-dimethyl-2-[2-oxo-2-(4-phenylphenyl)ethylthio]-3-prop-2-enyl-3-hydrothioph eno[2,3-d]pyrimidin-4-one, 5,6-dimethyl-2-{[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C25H22N2O2S2 |
|---|---|
| Molecular Weight | 446.11 g/mol |
| LogP | 5.90284 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.11227 |
| Heavy Atoms | 31 |
| Complexity | 1319.8936 |
Chemical Identifiers
| CAS Number | 315679-01-7 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)CC=C)C |
Product Overview
UPCMLD0ENAT0509-5709:001 (CAS 315679-01-7), with molecular formula C25H22N2O2S2 and molecular weight 446.11 g/mol. IUPAC: 5,6-dimethyl-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of UPCMLD0ENAT0509-5709:001
Property Insights of UPCMLD0ENAT0509-5709:001
The XLogP value of 5.90284 indicates that UPCMLD0ENAT0509-5709:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, UPCMLD0ENAT0509-5709:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0509-5709:001 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 UPCMLD0ENAT0509-5709:001?
The CAS number of UPCMLD0ENAT0509-5709:001 is 315679-01-7.
What is the molecular formula of UPCMLD0ENAT0509-5709:001?
The molecular formula of UPCMLD0ENAT0509-5709:001 is C25H22N2O2S2.
What is the molecular weight of UPCMLD0ENAT0509-5709:001?
The molecular weight of UPCMLD0ENAT0509-5709:001 is 446.11 g/mol.
Where can I buy UPCMLD0ENAT0509-5709:001?
You can request a quote for UPCMLD0ENAT0509-5709:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0509-5709:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0509-5709:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.