BAS 04913254
TL;DR: BAS 04913254 (CAS 307511-46-2) is a chemical compound with molecular formula C20H18N2O2S2 and molecular weight 382.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-phenacylsulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: BAS 04913254, 3-ALLYL-2-[(2-OXO-2-PHENYLETHYL)SULFANYL]-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE, 2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 3-allyl-2-((2-oxo-2-phenylethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
| Molecular Formula | C20H18N2O2S2 |
|---|---|
| Molecular Weight | 382.08 g/mol |
| LogP | 4.1077 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.08096 |
| Heavy Atoms | 26 |
| Complexity | 1051.0988 |
Chemical Identifiers
| CAS Number | 307511-46-2 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC=CC=C3)SC4=C2CCC4 |
Product Overview
BAS 04913254 (CAS 307511-46-2), with molecular formula C20H18N2O2S2 and molecular weight 382.08 g/mol. IUPAC: 10-phenacylsulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of BAS 04913254
Property Insights of BAS 04913254
The XLogP value of 4.1077 indicates that BAS 04913254 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, BAS 04913254 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04913254 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 04913254?
The CAS number of BAS 04913254 is 307511-46-2.
What is the molecular formula of BAS 04913254?
The molecular formula of BAS 04913254 is C20H18N2O2S2.
What is the molecular weight of BAS 04913254?
The molecular weight of BAS 04913254 is 382.08 g/mol.
Where can I buy BAS 04913254?
You can request a quote for BAS 04913254 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04913254?
Yes, KEHONG BIO provides custom synthesis services for BAS 04913254 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.