BAS 06111315
TL;DR: BAS 06111315 (CAS 713096-75-4) is a chemical compound with molecular formula C16H17ClN4O2S and molecular weight 364.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-chlorophenyl)propanamide
Also Known As: BAS 06111315, 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-chlorophenyl)propanamide, 2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-chlorophenyl)propanamide, 2-[(1-allyl-6-amino-4-oxo-1,4-dihydropyrimidin-2-yl)thio]-N-(4-chlorophenyl)propanamide, 2-[(1-ALLYL-6-AMINO-4-OXO-1,4-DIHYDRO-2-PYRIMIDINYL)SULFANYL]-N~1~-(4-CHLOROPHENYL)PROPANAMIDE
| Molecular Formula | C16H17ClN4O2S |
|---|---|
| Molecular Weight | 364.08 g/mol |
| LogP | 2.7842 |
| Topological Polar Surface Area | 90.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.07608 |
| Heavy Atoms | 24 |
| Complexity | 804.71497 |
Chemical Identifiers
| CAS Number | 713096-75-4 |
|---|---|
| SMILES | CC(C(=O)NC1=CC=C(C=C1)Cl)SC2=NC(=O)C=C(N2CC=C)N |
Product Overview
BAS 06111315 (CAS 713096-75-4), with molecular formula C16H17ClN4O2S and molecular weight 364.08 g/mol. IUPAC: 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-chlorophenyl)propanamide.
Chemical Property Profile of BAS 06111315
Property Insights of BAS 06111315
The XLogP value of 2.7842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06111315. The TPSA of 90.01 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06111315. Following Lipinski's Rule of Five, BAS 06111315 has 2 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 06111315?
The CAS number of BAS 06111315 is 713096-75-4.
What is the molecular formula of BAS 06111315?
The molecular formula of BAS 06111315 is C16H17ClN4O2S.
What is the molecular weight of BAS 06111315?
The molecular weight of BAS 06111315 is 364.08 g/mol.
Where can I buy BAS 06111315?
You can request a quote for BAS 06111315 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06111315?
Yes, KEHONG BIO provides custom synthesis services for BAS 06111315 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.