UPCMLD0ENAT5733437:001
TL;DR: UPCMLD0ENAT5733437:001 (CAS 313262-61-2) is a chemical compound with molecular formula C18H20N6O2S and molecular weight 384.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1H-benzimidazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5733437:001, F0017-1671, 8-((1H-benzo[d]imidazol-2-yl)thio)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-(1H-benzimidazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione, 8-(1H-benzimidazol-2-ylsulfanyl)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C18H20N6O2S |
|---|---|
| Molecular Weight | 384.14 g/mol |
| LogP | 2.4969 |
| Topological Polar Surface Area | 101.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.13684 |
| Heavy Atoms | 27 |
| Complexity | 1213.4297 |
Chemical Identifiers
| CAS Number | 313262-61-2 |
|---|---|
| SMILES | CC(C)CCN1C2=C(N=C1SC3=NC4=CC=CC=C4N3)N(C(=O)NC2=O)C |
Product Overview
UPCMLD0ENAT5733437:001 (CAS 313262-61-2), with molecular formula C18H20N6O2S and molecular weight 384.14 g/mol. IUPAC: 8-(1H-benzimidazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5733437:001
Property Insights of UPCMLD0ENAT5733437:001
The XLogP value of 2.4969 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5733437:001. The TPSA of 101.36 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5733437:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5733437:001 has 2 hydrogen bond donor(s) and 5 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 UPCMLD0ENAT5733437:001?
The CAS number of UPCMLD0ENAT5733437:001 is 313262-61-2.
What is the molecular formula of UPCMLD0ENAT5733437:001?
The molecular formula of UPCMLD0ENAT5733437:001 is C18H20N6O2S.
What is the molecular weight of UPCMLD0ENAT5733437:001?
The molecular weight of UPCMLD0ENAT5733437:001 is 384.14 g/mol.
Where can I buy UPCMLD0ENAT5733437:001?
You can request a quote for UPCMLD0ENAT5733437:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5733437:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5733437:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.