UPCMLD0ENAT0505-2025:001
TL;DR: UPCMLD0ENAT0505-2025:001 (CAS 315679-17-5) is a chemical compound with molecular formula C23H18N2OS2 and molecular weight 402.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-phenylphenyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone
Also Known As: UPCMLD0ENAT0505-2025:001, AF-399/14662031, 1-[1,1'-biphenyl]-4-yl-2-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)ethanone, 1-(4-phenylphenyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone, 2-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylsulfanyl)-1-(4-phenylphenyl)ethanone
| Molecular Formula | C23H18N2OS2 |
|---|---|
| Molecular Weight | 402.09 g/mol |
| LogP | 5.822 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.08606 |
| Heavy Atoms | 28 |
| Complexity | 1150.6697 |
Chemical Identifiers
| CAS Number | 315679-17-5 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)C4=CC=C(C=C4)C5=CC=CC=C5 |
Product Overview
UPCMLD0ENAT0505-2025:001 (CAS 315679-17-5), with molecular formula C23H18N2OS2 and molecular weight 402.09 g/mol. IUPAC: 1-(4-phenylphenyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone.
Chemical Property Profile of UPCMLD0ENAT0505-2025:001
Property Insights of UPCMLD0ENAT0505-2025:001
The XLogP value of 5.822 indicates that UPCMLD0ENAT0505-2025:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.85 Ų, UPCMLD0ENAT0505-2025:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0505-2025:001 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 UPCMLD0ENAT0505-2025:001?
The CAS number of UPCMLD0ENAT0505-2025:001 is 315679-17-5.
What is the molecular formula of UPCMLD0ENAT0505-2025:001?
The molecular formula of UPCMLD0ENAT0505-2025:001 is C23H18N2OS2.
What is the molecular weight of UPCMLD0ENAT0505-2025:001?
The molecular weight of UPCMLD0ENAT0505-2025:001 is 402.09 g/mol.
Where can I buy UPCMLD0ENAT0505-2025:001?
You can request a quote for UPCMLD0ENAT0505-2025:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0505-2025:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0505-2025:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.