BAS 00135122
TL;DR: BAS 00135122 (CAS 302929-57-3) is a chemical compound with molecular formula C16H18N2OS2 and molecular weight 318.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-enyl-2-prop-2-enylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: BAS 00135122, 3-allyl-2-(allylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, F1086-0003, 4-(prop-2-en-1-yl)-5-(prop-2-en-1-ylsulfanyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one, 3-prop-2-enyl-2-prop-2-enylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C16H18N2OS2 |
|---|---|
| Molecular Weight | 318.09 g/mol |
| LogP | 3.8009 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.08606 |
| Heavy Atoms | 21 |
| Complexity | 757.70325 |
Chemical Identifiers
| CAS Number | 302929-57-3 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC=C)SC3=C2CCCC3 |
Product Overview
BAS 00135122 (CAS 302929-57-3), with molecular formula C16H18N2OS2 and molecular weight 318.09 g/mol. IUPAC: 3-prop-2-enyl-2-prop-2-enylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of BAS 00135122
Property Insights of BAS 00135122
The XLogP value of 3.8009 indicates that BAS 00135122 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 00135122 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00135122 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 00135122?
The CAS number of BAS 00135122 is 302929-57-3.
What is the molecular formula of BAS 00135122?
The molecular formula of BAS 00135122 is C16H18N2OS2.
What is the molecular weight of BAS 00135122?
The molecular weight of BAS 00135122 is 318.09 g/mol.
Where can I buy BAS 00135122?
You can request a quote for BAS 00135122 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00135122?
Yes, KEHONG BIO provides custom synthesis services for BAS 00135122 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.