AB01308977-01
TL;DR: AB01308977-01 (CAS 313507-31-2) is a chemical compound with molecular formula C12H16N4O4S and molecular weight 312.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-(3,7-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetate
Also Known As: AB01308977-01, propan-2-yl 2-(3,7-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetate, isopropyl 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate, propan-2-yl [(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
| Molecular Formula | C12H16N4O4S |
|---|---|
| Molecular Weight | 312.09 g/mol |
| LogP | 0.004 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.08923 |
| Heavy Atoms | 21 |
| Complexity | 801.91595 |
Chemical Identifiers
| CAS Number | 313507-31-2 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=NC2=C(N1C)C(=O)NC(=O)N2C |
Product Overview
AB01308977-01 (CAS 313507-31-2), with molecular formula C12H16N4O4S and molecular weight 312.09 g/mol. IUPAC: propan-2-yl 2-(3,7-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetate.
Chemical Property Profile of AB01308977-01
Property Insights of AB01308977-01
The XLogP value of 0.004 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01308977-01. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01308977-01. Following Lipinski's Rule of Five, AB01308977-01 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 AB01308977-01?
The CAS number of AB01308977-01 is 313507-31-2.
What is the molecular formula of AB01308977-01?
The molecular formula of AB01308977-01 is C12H16N4O4S.
What is the molecular weight of AB01308977-01?
The molecular weight of AB01308977-01 is 312.09 g/mol.
Where can I buy AB01308977-01?
You can request a quote for AB01308977-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01308977-01?
Yes, KEHONG BIO provides custom synthesis services for AB01308977-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.