UPCMLD0ENAT5210546:001
TL;DR: UPCMLD0ENAT5210546:001 (CAS 731795-72-5) is a chemical compound with molecular formula C26H19F3N4S and molecular weight 476.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-methyl-16-(4-methylphenyl)-12-[2-(trifluoromethyl)phenyl]-8-thia-1,10,12,13-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaene
Also Known As: UPCMLD0ENAT5210546:001, 3-methyl-4-(4-methylphenyl)-1-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrazolo[3',4':4,5]pyrimido[2,1-b][1,3]benzothiazole, 3-methyl-4-(p-tolyl)-1-(2-(trifluoromethyl)phenyl)-1,4-dihydrobenzo[4,5]thiazolo[3,2-a]pyrazolo[3,4-d]pyrimidine
| Molecular Formula | C26H19F3N4S |
|---|---|
| Molecular Weight | 476.13 g/mol |
| LogP | 7.21074 |
| Topological Polar Surface Area | 33.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 476.12827 |
| Heavy Atoms | 34 |
| Complexity | 1453.8998 |
Chemical Identifiers
| CAS Number | 731795-72-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C3=C(N=C4N2C5=CC=CC=C5S4)N(N=C3C)C6=CC=CC=C6C(F)(F)F |
Product Overview
UPCMLD0ENAT5210546:001 (CAS 731795-72-5), with molecular formula C26H19F3N4S and molecular weight 476.13 g/mol. IUPAC: 14-methyl-16-(4-methylphenyl)-12-[2-(trifluoromethyl)phenyl]-8-thia-1,10,12,13-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaene.
Chemical Property Profile of UPCMLD0ENAT5210546:001
Property Insights of UPCMLD0ENAT5210546:001
The XLogP value of 7.21074 indicates that UPCMLD0ENAT5210546:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.42 Ų, UPCMLD0ENAT5210546:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5210546:001 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5210546:001?
The CAS number of UPCMLD0ENAT5210546:001 is 731795-72-5.
What is the molecular formula of UPCMLD0ENAT5210546:001?
The molecular formula of UPCMLD0ENAT5210546:001 is C26H19F3N4S.
What is the molecular weight of UPCMLD0ENAT5210546:001?
The molecular weight of UPCMLD0ENAT5210546:001 is 476.13 g/mol.
Where can I buy UPCMLD0ENAT5210546:001?
You can request a quote for UPCMLD0ENAT5210546:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5210546:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5210546:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.