UPCMLD0ENAT0513-9114:001
TL;DR: UPCMLD0ENAT0513-9114:001 (CAS 315692-70-7) is a chemical compound with molecular formula C24H22N2O3S2 and molecular weight 450.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[2-(3-methoxyphenoxy)ethylsulfanyl]-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: UPCMLD0ENAT0513-9114:001, AF-399/14944027, 10-[2-(3-Methoxyphenoxy)ethylsulfanyl]-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one, 3-[2-(3-methoxyphenoxy)ethylsulfanyl]-2-phenyl-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-1-one, 2-{[2-(3-methoxyphenoxy)ethyl]sulfanyl}-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C24H22N2O3S2 |
|---|---|
| Molecular Weight | 450.11 g/mol |
| LogP | 5.1156 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.10718 |
| Heavy Atoms | 31 |
| Complexity | 1281.4692 |
Chemical Identifiers
| CAS Number | 315692-70-7 |
|---|---|
| SMILES | COC1=CC(=CC=C1)OCCSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2C5=CC=CC=C5 |
Product Overview
UPCMLD0ENAT0513-9114:001 (CAS 315692-70-7), with molecular formula C24H22N2O3S2 and molecular weight 450.11 g/mol. IUPAC: 10-[2-(3-methoxyphenoxy)ethylsulfanyl]-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 UPCMLD0ENAT0513-9114:001
Property Insights of UPCMLD0ENAT0513-9114:001
The XLogP value of 5.1156 indicates that UPCMLD0ENAT0513-9114:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, UPCMLD0ENAT0513-9114:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-9114:001 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0513-9114:001?
The CAS number of UPCMLD0ENAT0513-9114:001 is 315692-70-7.
What is the molecular formula of UPCMLD0ENAT0513-9114:001?
The molecular formula of UPCMLD0ENAT0513-9114:001 is C24H22N2O3S2.
What is the molecular weight of UPCMLD0ENAT0513-9114:001?
The molecular weight of UPCMLD0ENAT0513-9114:001 is 450.11 g/mol.
Where can I buy UPCMLD0ENAT0513-9114:001?
You can request a quote for UPCMLD0ENAT0513-9114:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-9114:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-9114:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.