UPCMLD0ENAT5829928:001
TL;DR: UPCMLD0ENAT5829928:001 (CAS 674817-73-3) is a chemical compound with molecular formula C33H33N7O2S2 and molecular weight 623.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-benzhydrylpiperazin-1-yl)-7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5829928:001, F1614-0079, 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[4-(diphenylmethyl)piperazin-1-yl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-(4-benzhydrylpiperazin-1-yl)-7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-(4-benzhydrylpiperazin-1-yl)-7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C33H33N7O2S2 |
|---|---|
| Molecular Weight | 623.21 g/mol |
| LogP | 4.7473 |
| Topological Polar Surface Area | 81.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 623.21375 |
| Heavy Atoms | 44 |
| Complexity | 1969.3994 |
Chemical Identifiers
| CAS Number | 674817-73-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)CCSC6=NC7=CC=CC=C7S6 |
Product Overview
UPCMLD0ENAT5829928:001 (CAS 674817-73-3), with molecular formula C33H33N7O2S2 and molecular weight 623.21 g/mol. IUPAC: 8-(4-benzhydrylpiperazin-1-yl)-7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5829928:001
Property Insights of UPCMLD0ENAT5829928:001
The XLogP value of 4.7473 indicates that UPCMLD0ENAT5829928:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.19 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5829928:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5829928:001 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5829928:001?
The CAS number of UPCMLD0ENAT5829928:001 is 674817-73-3.
What is the molecular formula of UPCMLD0ENAT5829928:001?
The molecular formula of UPCMLD0ENAT5829928:001 is C33H33N7O2S2.
What is the molecular weight of UPCMLD0ENAT5829928:001?
The molecular weight of UPCMLD0ENAT5829928:001 is 623.21 g/mol.
Where can I buy UPCMLD0ENAT5829928:001?
You can request a quote for UPCMLD0ENAT5829928:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5829928:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5829928:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.