UPCMLD0ENAT5830681:001
TL;DR: UPCMLD0ENAT5830681:001 (CAS 676157-62-3) is a chemical compound with molecular formula C29H32N8O2S2 and molecular weight 588.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-benzhydrylpiperazin-1-yl)-1,3-dimethyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5830681:001, F1614-0215, 8-(4-benzhydrylpiperazin-1-yl)-1,3-dimethyl-7-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione, 8-(4-benzhydrylpiperazin-1-yl)-1,3-dimethyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione, 8-[4-(diphenylmethyl)piperazin-1-yl]-1,3-dimethyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C29H32N8O2S2 |
|---|---|
| Molecular Weight | 588.21 g/mol |
| LogP | 3.29752 |
| Topological Polar Surface Area | 94.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 588.209 |
| Heavy Atoms | 41 |
| Complexity | 1730.4331 |
Chemical Identifiers
| CAS Number | 676157-62-3 |
|---|---|
| SMILES | CC1=NN=C(S1)SCCN2C3=C(N=C2N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)N(C(=O)N(C3=O)C)C |
Product Overview
UPCMLD0ENAT5830681:001 (CAS 676157-62-3), with molecular formula C29H32N8O2S2 and molecular weight 588.21 g/mol. IUPAC: 8-(4-benzhydrylpiperazin-1-yl)-1,3-dimethyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5830681:001
Property Insights of UPCMLD0ENAT5830681:001
The XLogP value of 3.29752 indicates that UPCMLD0ENAT5830681:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.08 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5830681:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5830681:001 has 0 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 UPCMLD0ENAT5830681:001?
The CAS number of UPCMLD0ENAT5830681:001 is 676157-62-3.
What is the molecular formula of UPCMLD0ENAT5830681:001?
The molecular formula of UPCMLD0ENAT5830681:001 is C29H32N8O2S2.
What is the molecular weight of UPCMLD0ENAT5830681:001?
The molecular weight of UPCMLD0ENAT5830681:001 is 588.21 g/mol.
Where can I buy UPCMLD0ENAT5830681:001?
You can request a quote for UPCMLD0ENAT5830681:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5830681:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5830681:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.