BAS 07401831
TL;DR: BAS 07401831 (CAS 674332-66-2) is a chemical compound with molecular formula C18H19N7O2S and molecular weight 397.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-7-(3-phenylpropyl)purine-2,6-dione
Also Known As: BAS 07401831, 3-methyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 3-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-7-(3-phenylpropyl)purine-2,6-dione
| Molecular Formula | C18H19N7O2S |
|---|---|
| Molecular Weight | 397.13 g/mol |
| LogP | 1.3358 |
| Topological Polar Surface Area | 103.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.13208 |
| Heavy Atoms | 28 |
| Complexity | 1236.5334 |
Chemical Identifiers
| CAS Number | 674332-66-2 |
|---|---|
| SMILES | CN1C=NN=C1SC2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)NC(=O)N3C |
Product Overview
BAS 07401831 (CAS 674332-66-2), with molecular formula C18H19N7O2S and molecular weight 397.13 g/mol. IUPAC: 3-methyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-7-(3-phenylpropyl)purine-2,6-dione.
Chemical Property Profile of BAS 07401831
Property Insights of BAS 07401831
The XLogP value of 1.3358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07401831. The TPSA of 103.39 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07401831. Following Lipinski's Rule of Five, BAS 07401831 has 1 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 BAS 07401831?
The CAS number of BAS 07401831 is 674332-66-2.
What is the molecular formula of BAS 07401831?
The molecular formula of BAS 07401831 is C18H19N7O2S.
What is the molecular weight of BAS 07401831?
The molecular weight of BAS 07401831 is 397.13 g/mol.
Where can I buy BAS 07401831?
You can request a quote for BAS 07401831 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07401831?
Yes, KEHONG BIO provides custom synthesis services for BAS 07401831 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.