BAS 12238896
TL;DR: BAS 12238896 (CAS 728036-93-9) is a chemical compound with molecular formula C19H20FN5O2S and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylpentanenitrile
Also Known As: BAS 12238896, A3881/0164992, 5-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylpentanenitrile, 5-((7-(2-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)pentanenitrile, 5-({7-[(2-FLUOROPHENYL)METHYL]-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL}SULFANYL)PENTANENITRILE
| Molecular Formula | C19H20FN5O2S |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 2.40708 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.13217 |
| Heavy Atoms | 28 |
| Complexity | 1171.9966 |
Chemical Identifiers
| CAS Number | 728036-93-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCCCC#N)CC3=CC=CC=C3F |
Product Overview
BAS 12238896 (CAS 728036-93-9), with molecular formula C19H20FN5O2S and molecular weight 401.13 g/mol. IUPAC: 5-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylpentanenitrile.
Chemical Property Profile of BAS 12238896
Property Insights of BAS 12238896
The XLogP value of 2.40708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12238896. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12238896. Following Lipinski's Rule of Five, BAS 12238896 has 0 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 12238896?
The CAS number of BAS 12238896 is 728036-93-9.
What is the molecular formula of BAS 12238896?
The molecular formula of BAS 12238896 is C19H20FN5O2S.
What is the molecular weight of BAS 12238896?
The molecular weight of BAS 12238896 is 401.13 g/mol.
Where can I buy BAS 12238896?
You can request a quote for BAS 12238896 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12238896?
Yes, KEHONG BIO provides custom synthesis services for BAS 12238896 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.