BAS 03182739
TL;DR: BAS 03182739 (CAS 377066-94-9) is a chemical compound with molecular formula C18H21N5O3S and molecular weight 387.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1,3-dimethyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetamide
Also Known As: BAS 03182739, 2-{[1,3-dimethyl-2,6-dioxo-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide, 2-[1,3-dimethyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetamide, 2-[1,3-dimethyl-2,6-dioxo-7-(3-phenylpropyl)-1,3,7-trihydropurin-8-ylthio]acet amide, 2-((1,3-dimethyl-2,6-dioxo-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide
| Molecular Formula | C18H21N5O3S |
|---|---|
| Molecular Weight | 387.14 g/mol |
| LogP | 0.6439 |
| Topological Polar Surface Area | 104.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.1365 |
| Heavy Atoms | 27 |
| Complexity | 1098.113 |
Chemical Identifiers
| CAS Number | 377066-94-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)N)CCCC3=CC=CC=C3 |
Product Overview
BAS 03182739 (CAS 377066-94-9), with molecular formula C18H21N5O3S and molecular weight 387.14 g/mol. IUPAC: 2-[1,3-dimethyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetamide.
Chemical Property Profile of BAS 03182739
Property Insights of BAS 03182739
The XLogP value of 0.6439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03182739. The TPSA of 104.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03182739. Following Lipinski's Rule of Five, BAS 03182739 has 1 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 BAS 03182739?
The CAS number of BAS 03182739 is 377066-94-9.
What is the molecular formula of BAS 03182739?
The molecular formula of BAS 03182739 is C18H21N5O3S.
What is the molecular weight of BAS 03182739?
The molecular weight of BAS 03182739 is 387.14 g/mol.
Where can I buy BAS 03182739?
You can request a quote for BAS 03182739 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03182739?
Yes, KEHONG BIO provides custom synthesis services for BAS 03182739 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.