UPCMLD0ENAT0513-4931:001
TL;DR: UPCMLD0ENAT0513-4931:001 (CAS 379256-89-0) is a chemical compound with molecular formula C21H24N4S and molecular weight 364.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-phenylpiperazin-1-yl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene
Also Known As: UPCMLD0ENAT0513-4931:001, AF-399/15600011, 4-(4-phenylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine, 3-(4-phenylpiperazin-1-yl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene, 4-(4-phenyl-1-piperazinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C21H24N4S |
|---|---|
| Molecular Weight | 364.17 g/mol |
| LogP | 4.2868 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 364.17218 |
| Heavy Atoms | 26 |
| Complexity | 897.02 |
Chemical Identifiers
| CAS Number | 379256-89-0 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=NC=NC(=C23)N4CCN(CC4)C5=CC=CC=C5 |
Product Overview
UPCMLD0ENAT0513-4931:001 (CAS 379256-89-0), with molecular formula C21H24N4S and molecular weight 364.17 g/mol. IUPAC: 3-(4-phenylpiperazin-1-yl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene.
Chemical Property Profile of UPCMLD0ENAT0513-4931:001
Property Insights of UPCMLD0ENAT0513-4931:001
The XLogP value of 4.2868 indicates that UPCMLD0ENAT0513-4931:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.26 Ų, UPCMLD0ENAT0513-4931:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-4931:001 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 UPCMLD0ENAT0513-4931:001?
The CAS number of UPCMLD0ENAT0513-4931:001 is 379256-89-0.
What is the molecular formula of UPCMLD0ENAT0513-4931:001?
The molecular formula of UPCMLD0ENAT0513-4931:001 is C21H24N4S.
What is the molecular weight of UPCMLD0ENAT0513-4931:001?
The molecular weight of UPCMLD0ENAT0513-4931:001 is 364.17 g/mol.
Where can I buy UPCMLD0ENAT0513-4931:001?
You can request a quote for UPCMLD0ENAT0513-4931:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-4931:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-4931:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.