UPCMLD0ENAT0513-6706:001
TL;DR: UPCMLD0ENAT0513-6706:001 (CAS 500113-36-0) is a chemical compound with molecular formula C23H25N3O2S2 and molecular weight 439.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: UPCMLD0ENAT0513-6706:001, 11-methyl-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-phenyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one, F1408-0414, 7-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 7-methyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-3-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C23H25N3O2S2 |
|---|---|
| Molecular Weight | 439.14 g/mol |
| LogP | 4.2865 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.13882 |
| Heavy Atoms | 30 |
| Complexity | 1146.7048 |
Chemical Identifiers
| CAS Number | 500113-36-0 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)N4CCCC4)C5=CC=CC=C5 |
Product Overview
UPCMLD0ENAT0513-6706:001 (CAS 500113-36-0), with molecular formula C23H25N3O2S2 and molecular weight 439.14 g/mol. IUPAC: 7-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of UPCMLD0ENAT0513-6706:001
Property Insights of UPCMLD0ENAT0513-6706:001
The XLogP value of 4.2865 indicates that UPCMLD0ENAT0513-6706:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, UPCMLD0ENAT0513-6706:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-6706:001 has 0 hydrogen bond donor(s) and 5 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 UPCMLD0ENAT0513-6706:001?
The CAS number of UPCMLD0ENAT0513-6706:001 is 500113-36-0.
What is the molecular formula of UPCMLD0ENAT0513-6706:001?
The molecular formula of UPCMLD0ENAT0513-6706:001 is C23H25N3O2S2.
What is the molecular weight of UPCMLD0ENAT0513-6706:001?
The molecular weight of UPCMLD0ENAT0513-6706:001 is 439.14 g/mol.
Where can I buy UPCMLD0ENAT0513-6706:001?
You can request a quote for UPCMLD0ENAT0513-6706:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-6706:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-6706:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.