UPCMLD0ENAT5749864:001
TL;DR: UPCMLD0ENAT5749864:001 (CAS 442572-75-0) is a chemical compound with molecular formula C23H27ClN4OS and molecular weight 442.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: UPCMLD0ENAT5749864:001, 4-(4-(2-(4-chlorophenoxy)ethyl)piperazin-1-yl)-6-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine, F1126-0695, 3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-12-methyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraene, 4-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-6-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
| Molecular Formula | C23H27ClN4OS |
|---|---|
| Molecular Weight | 442.16 g/mol |
| LogP | 4.6705 |
| Topological Polar Surface Area | 41.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.15942 |
| Heavy Atoms | 30 |
| Complexity | 1013.965 |
Chemical Identifiers
| CAS Number | 442572-75-0 |
|---|---|
| SMILES | CC1CCC2=C(C1)C3=C(N=CN=C3S2)N4CCN(CC4)CCOC5=CC=C(C=C5)Cl |
Product Overview
UPCMLD0ENAT5749864:001 (CAS 442572-75-0), with molecular formula C23H27ClN4OS and molecular weight 442.16 g/mol. IUPAC: 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of UPCMLD0ENAT5749864:001
Property Insights of UPCMLD0ENAT5749864:001
The XLogP value of 4.6705 indicates that UPCMLD0ENAT5749864:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.49 Ų, UPCMLD0ENAT5749864:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5749864:001 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 UPCMLD0ENAT5749864:001?
The CAS number of UPCMLD0ENAT5749864:001 is 442572-75-0.
What is the molecular formula of UPCMLD0ENAT5749864:001?
The molecular formula of UPCMLD0ENAT5749864:001 is C23H27ClN4OS.
What is the molecular weight of UPCMLD0ENAT5749864:001?
The molecular weight of UPCMLD0ENAT5749864:001 is 442.16 g/mol.
Where can I buy UPCMLD0ENAT5749864:001?
You can request a quote for UPCMLD0ENAT5749864:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5749864:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5749864:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.