UPCMLD0ENAT5836658:001
TL;DR: UPCMLD0ENAT5836658:001 (CAS 674816-33-2) is a chemical compound with molecular formula C28H30N8O2S2 and molecular weight 574.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5836658:001, F1614-0212, 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione, 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione, 8-[4-(diphenylmethyl)piperazin-1-yl]-3-methyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C28H30N8O2S2 |
|---|---|
| Molecular Weight | 574.19 g/mol |
| LogP | 3.28712 |
| Topological Polar Surface Area | 104.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 574.1933 |
| Heavy Atoms | 40 |
| Complexity | 1680.8824 |
Chemical Identifiers
| CAS Number | 674816-33-2 |
|---|---|
| SMILES | CC1=NN=C(S1)SCCN2C3=C(N=C2N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)N(C(=O)NC3=O)C |
Product Overview
UPCMLD0ENAT5836658:001 (CAS 674816-33-2), with molecular formula C28H30N8O2S2 and molecular weight 574.19 g/mol. IUPAC: 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5836658:001
Property Insights of UPCMLD0ENAT5836658:001
The XLogP value of 3.28712 indicates that UPCMLD0ENAT5836658:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.94 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5836658:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5836658:001 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5836658:001?
The CAS number of UPCMLD0ENAT5836658:001 is 674816-33-2.
What is the molecular formula of UPCMLD0ENAT5836658:001?
The molecular formula of UPCMLD0ENAT5836658:001 is C28H30N8O2S2.
What is the molecular weight of UPCMLD0ENAT5836658:001?
The molecular weight of UPCMLD0ENAT5836658:001 is 574.19 g/mol.
Where can I buy UPCMLD0ENAT5836658:001?
You can request a quote for UPCMLD0ENAT5836658:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5836658:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5836658:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.