UPCMLD0ENAT5890151:001
TL;DR: UPCMLD0ENAT5890151:001 (CAS 314244-94-5) is a chemical compound with molecular formula C23H18N2O3S2 and molecular weight 434.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(1,3-benzodioxol-5-ylmethylsulfanyl)-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: UPCMLD0ENAT5890151:001, F1143-1995, F1174-0191, 10-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one, 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-3-phenyl-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
| Molecular Formula | C23H18N2O3S2 |
|---|---|
| Molecular Weight | 434.08 g/mol |
| LogP | 4.9569 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.0759 |
| Heavy Atoms | 30 |
| Complexity | 1328.0286 |
Chemical Identifiers
| CAS Number | 314244-94-5 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6 |
Product Overview
UPCMLD0ENAT5890151:001 (CAS 314244-94-5), with molecular formula C23H18N2O3S2 and molecular weight 434.08 g/mol. IUPAC: 10-(1,3-benzodioxol-5-ylmethylsulfanyl)-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of UPCMLD0ENAT5890151:001
Property Insights of UPCMLD0ENAT5890151:001
The XLogP value of 4.9569 indicates that UPCMLD0ENAT5890151:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, UPCMLD0ENAT5890151:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5890151:001 has 0 hydrogen bond donor(s) and 6 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 UPCMLD0ENAT5890151:001?
The CAS number of UPCMLD0ENAT5890151:001 is 314244-94-5.
What is the molecular formula of UPCMLD0ENAT5890151:001?
The molecular formula of UPCMLD0ENAT5890151:001 is C23H18N2O3S2.
What is the molecular weight of UPCMLD0ENAT5890151:001?
The molecular weight of UPCMLD0ENAT5890151:001 is 434.08 g/mol.
Where can I buy UPCMLD0ENAT5890151:001?
You can request a quote for UPCMLD0ENAT5890151:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5890151:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5890151:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.