BAS 03301955
TL;DR: BAS 03301955 (CAS 378202-71-2) is a chemical compound with molecular formula C14H21N5O3S and molecular weight 339.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylacetamide
Also Known As: BAS 03301955, 2-((7-isopentyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide, AB00433153-04, F1167-0073, 2-[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylacetamide
| Molecular Formula | C14H21N5O3S |
|---|---|
| Molecular Weight | 339.14 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.1365 |
| Heavy Atoms | 23 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 378202-71-2 |
|---|---|
| SMILES | CC(C)CCN1C2=C(N=C1SCC(=O)N)N(C(=O)N(C2=O)C)C |
| InChIKey | YHJMTTQUCRONHB-UHFFFAOYSA-N |
Product Overview
BAS 03301955 (CAS 378202-71-2), with molecular formula C14H21N5O3S and molecular weight 339.14 g/mol. IUPAC: 2-[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylacetamide.
Chemical Property Profile of BAS 03301955
Property Insights of BAS 03301955
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03301955. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03301955. Following Lipinski's Rule of Five, BAS 03301955 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 03301955?
The CAS number of BAS 03301955 is 378202-71-2.
What is the molecular formula of BAS 03301955?
The molecular formula of BAS 03301955 is C14H21N5O3S.
What is the molecular weight of BAS 03301955?
The molecular weight of BAS 03301955 is 339.14 g/mol.
Where can I buy BAS 03301955?
You can request a quote for BAS 03301955 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03301955?
Yes, KEHONG BIO provides custom synthesis services for BAS 03301955 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.