BAS 01129953
TL;DR: BAS 01129953 (CAS 100451-84-1) is a chemical compound with molecular formula C13H19N5O4 and molecular weight 309.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methoxypropyl)acetamide
Also Known As: BAS 01129953, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methoxypropyl)acetamide, 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(3-methoxypropyl)acetamide, AB01231458-02, 2-(1,3-dimethyl-2,6-dioxo(1,3,7-trihydropurin-7-yl))-N-(3-methoxypropyl)acetam ide
| Molecular Formula | C13H19N5O4 |
|---|---|
| Molecular Weight | 309.14 g/mol |
| LogP | -1.4136 |
| Topological Polar Surface Area | 100.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.1437 |
| Heavy Atoms | 22 |
| Complexity | 801.0889 |
Chemical Identifiers
| CAS Number | 100451-84-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCCCOC |
Product Overview
BAS 01129953 (CAS 100451-84-1), with molecular formula C13H19N5O4 and molecular weight 309.14 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methoxypropyl)acetamide.
Chemical Property Profile of BAS 01129953
Property Insights of BAS 01129953
The XLogP value of -1.4136 indicates that BAS 01129953 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.15 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01129953. Following Lipinski's Rule of Five, BAS 01129953 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 01129953?
The CAS number of BAS 01129953 is 100451-84-1.
What is the molecular formula of BAS 01129953?
The molecular formula of BAS 01129953 is C13H19N5O4.
What is the molecular weight of BAS 01129953?
The molecular weight of BAS 01129953 is 309.14 g/mol.
Where can I buy BAS 01129953?
You can request a quote for BAS 01129953 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01129953?
Yes, KEHONG BIO provides custom synthesis services for BAS 01129953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.