UPCMLD0ENAT5832975:001
TL;DR: UPCMLD0ENAT5832975:001 (CAS 685860-71-3) is a chemical compound with molecular formula C28H30N6O2S2 and molecular weight 546.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperidin-1-yl)-1,3-dimethylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5832975:001, AB00668544-01, F0570-0351, 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-8-(4-benzylpiperidin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperidin-1-yl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C28H30N6O2S2 |
|---|---|
| Molecular Weight | 546.19 g/mol |
| LogP | 4.2948 |
| Topological Polar Surface Area | 77.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 546.1872 |
| Heavy Atoms | 38 |
| Complexity | 1677.848 |
Chemical Identifiers
| CAS Number | 685860-71-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CCSC5=NC6=CC=CC=C6S5 |
Product Overview
UPCMLD0ENAT5832975:001 (CAS 685860-71-3), with molecular formula C28H30N6O2S2 and molecular weight 546.19 g/mol. IUPAC: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperidin-1-yl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5832975:001
Property Insights of UPCMLD0ENAT5832975:001
The XLogP value of 4.2948 indicates that UPCMLD0ENAT5832975:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.95 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5832975:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5832975:001 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5832975:001?
The CAS number of UPCMLD0ENAT5832975:001 is 685860-71-3.
What is the molecular formula of UPCMLD0ENAT5832975:001?
The molecular formula of UPCMLD0ENAT5832975:001 is C28H30N6O2S2.
What is the molecular weight of UPCMLD0ENAT5832975:001?
The molecular weight of UPCMLD0ENAT5832975:001 is 546.19 g/mol.
Where can I buy UPCMLD0ENAT5832975:001?
You can request a quote for UPCMLD0ENAT5832975:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5832975:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5832975:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.