UPCMLD0ENAT0513-4806:001
TL;DR: UPCMLD0ENAT0513-4806:001 (CAS 314261-84-2) is a chemical compound with molecular formula C18H17FN2OS2 and molecular weight 360.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-fluorophenyl)methylsulfanyl]-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
Also Known As: UPCMLD0ENAT0513-4806:001, AF-399/15392121, 2-{[(2-fluorophenyl)methyl]sulfanyl}-5,6-dimethyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one, 2-[(2-fluorophenyl)methylsulfanyl]-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one, 3-allyl-2-((2-fluorobenzyl)thio)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C18H17FN2OS2 |
|---|---|
| Molecular Weight | 360.08 g/mol |
| LogP | 4.69224 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.07663 |
| Heavy Atoms | 24 |
| Complexity | 975.0446 |
Chemical Identifiers
| CAS Number | 314261-84-2 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=CC=C3F)CC=C)C |
Product Overview
UPCMLD0ENAT0513-4806:001 (CAS 314261-84-2), with molecular formula C18H17FN2OS2 and molecular weight 360.08 g/mol. IUPAC: 2-[(2-fluorophenyl)methylsulfanyl]-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of UPCMLD0ENAT0513-4806:001
Property Insights of UPCMLD0ENAT0513-4806:001
The XLogP value of 4.69224 indicates that UPCMLD0ENAT0513-4806:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, UPCMLD0ENAT0513-4806:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-4806:001 has 0 hydrogen bond donor(s) and 4 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 UPCMLD0ENAT0513-4806:001?
The CAS number of UPCMLD0ENAT0513-4806:001 is 314261-84-2.
What is the molecular formula of UPCMLD0ENAT0513-4806:001?
The molecular formula of UPCMLD0ENAT0513-4806:001 is C18H17FN2OS2.
What is the molecular weight of UPCMLD0ENAT0513-4806:001?
The molecular weight of UPCMLD0ENAT0513-4806:001 is 360.08 g/mol.
Where can I buy UPCMLD0ENAT0513-4806:001?
You can request a quote for UPCMLD0ENAT0513-4806:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-4806:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-4806:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.