UPCMLD0ENAT5835043:001
TL;DR: UPCMLD0ENAT5835043:001 (CAS 585557-81-9) is a chemical compound with molecular formula C23H23N7O2S and molecular weight 461.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-8-[benzyl(methyl)amino]-3-methylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5835043:001, 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-8-(benzyl(methyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-8-[benzyl(methyl)amino]-3-methylpurine-2,6-dione, 7-[2-(1H-1,3-benzodiazol-2-ylsulfanyl)ethyl]-8-[benzyl(methyl)amino]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-(2-benzimidazol-2-ylthioethyl)-3-methyl-8-[methylbenzylamino]-1,3,7-trihydro purine-2,6-dione
| Molecular Formula | C23H23N7O2S |
|---|---|
| Molecular Weight | 461.16 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.1634 |
| Heavy Atoms | 33 |
| Complexity | 721.0 |
Chemical Identifiers
| CAS Number | 585557-81-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)CC3=CC=CC=C3)CCSC4=NC5=CC=CC=C5N4 |
| InChIKey | YPIGDDSTJPFMGP-UHFFFAOYSA-N |
Product Overview
UPCMLD0ENAT5835043:001 (CAS 585557-81-9), with molecular formula C23H23N7O2S and molecular weight 461.16 g/mol. IUPAC: 7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-8-[benzyl(methyl)amino]-3-methylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5835043:001
Property Insights of UPCMLD0ENAT5835043:001
The XLogP value of 3.4 indicates that UPCMLD0ENAT5835043:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5835043:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5835043:001 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5835043:001?
The CAS number of UPCMLD0ENAT5835043:001 is 585557-81-9.
What is the molecular formula of UPCMLD0ENAT5835043:001?
The molecular formula of UPCMLD0ENAT5835043:001 is C23H23N7O2S.
What is the molecular weight of UPCMLD0ENAT5835043:001?
The molecular weight of UPCMLD0ENAT5835043:001 is 461.16 g/mol.
Where can I buy UPCMLD0ENAT5835043:001?
You can request a quote for UPCMLD0ENAT5835043:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5835043:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5835043:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.