BAS 00851116
TL;DR: BAS 00851116 (CAS 324049-98-1) is a chemical compound with molecular formula C17H22N2OS2 and molecular weight 334.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylsulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: BAS 00851116, 2-butylsulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 3-allyl-2-(butylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-(butylsulfanyl)-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-ALLYL-2-(BUTYLSULFANYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
| Molecular Formula | C17H22N2OS2 |
|---|---|
| Molecular Weight | 334.12 g/mol |
| LogP | 4.415 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.11737 |
| Heavy Atoms | 22 |
| Complexity | 745.17737 |
Chemical Identifiers
| CAS Number | 324049-98-1 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CC=C |
Product Overview
BAS 00851116 (CAS 324049-98-1), with molecular formula C17H22N2OS2 and molecular weight 334.12 g/mol. IUPAC: 2-butylsulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of BAS 00851116
Property Insights of BAS 00851116
The XLogP value of 4.415 indicates that BAS 00851116 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, BAS 00851116 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00851116 has 0 hydrogen bond donor(s) and 4 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 00851116?
The CAS number of BAS 00851116 is 324049-98-1.
What is the molecular formula of BAS 00851116?
The molecular formula of BAS 00851116 is C17H22N2OS2.
What is the molecular weight of BAS 00851116?
The molecular weight of BAS 00851116 is 334.12 g/mol.
Where can I buy BAS 00851116?
You can request a quote for BAS 00851116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00851116?
Yes, KEHONG BIO provides custom synthesis services for BAS 00851116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.