UPCMLD0ENAT0513-5938:001
TL;DR: UPCMLD0ENAT0513-5938:001 (CAS 496024-16-9) is a chemical compound with molecular formula C25H29N3O2S2 and molecular weight 467.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: UPCMLD0ENAT0513-5938:001, AF-399/40806231, 7-methyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 7-methyl-2-{[2-(2-methyl-1-piperidinyl)-2-oxoethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C25H29N3O2S2 |
|---|---|
| Molecular Weight | 467.17 g/mol |
| LogP | 5.0651 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 467.1701 |
| Heavy Atoms | 32 |
| Complexity | 1201.3577 |
Chemical Identifiers
| CAS Number | 496024-16-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)N4CCCCC4C)C5=CC=CC=C5 |
Product Overview
UPCMLD0ENAT0513-5938:001 (CAS 496024-16-9), with molecular formula C25H29N3O2S2 and molecular weight 467.17 g/mol. IUPAC: 7-methyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of UPCMLD0ENAT0513-5938:001
Property Insights of UPCMLD0ENAT0513-5938:001
The XLogP value of 5.0651 indicates that UPCMLD0ENAT0513-5938:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, UPCMLD0ENAT0513-5938:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-5938:001 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 UPCMLD0ENAT0513-5938:001?
The CAS number of UPCMLD0ENAT0513-5938:001 is 496024-16-9.
What is the molecular formula of UPCMLD0ENAT0513-5938:001?
The molecular formula of UPCMLD0ENAT0513-5938:001 is C25H29N3O2S2.
What is the molecular weight of UPCMLD0ENAT0513-5938:001?
The molecular weight of UPCMLD0ENAT0513-5938:001 is 467.17 g/mol.
Where can I buy UPCMLD0ENAT0513-5938:001?
You can request a quote for UPCMLD0ENAT0513-5938:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-5938:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-5938:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.