BAS 05290778
TL;DR: BAS 05290778 (CAS 433329-91-0) is a chemical compound with molecular formula C13H12N2OS2 and molecular weight 276.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methyl-10-prop-2-ynylsulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: BAS 05290778, VU0455512-1, VU0455512-2, 5-Methyl-6-prop-2-ynylsulfanyl-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta[a]inden-4-one, 3-methyl-2-(2-propyn-1-ylthio)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C13H12N2OS2 |
|---|---|
| Molecular Weight | 276.04 g/mol |
| LogP | 2.209 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.0391 |
| Heavy Atoms | 18 |
| Complexity | 721.1372 |
Chemical Identifiers
| CAS Number | 433329-91-0 |
|---|---|
| SMILES | CN1C(=O)C2=C(N=C1SCC#C)SC3=C2CCC3 |
Product Overview
BAS 05290778 (CAS 433329-91-0), with molecular formula C13H12N2OS2 and molecular weight 276.04 g/mol. IUPAC: 11-methyl-10-prop-2-ynylsulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of BAS 05290778
Property Insights of BAS 05290778
The XLogP value of 2.209 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05290778. With a topological polar surface area (TPSA) of 34.89 Ų, BAS 05290778 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 05290778 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 05290778?
The CAS number of BAS 05290778 is 433329-91-0.
What is the molecular formula of BAS 05290778?
The molecular formula of BAS 05290778 is C13H12N2OS2.
What is the molecular weight of BAS 05290778?
The molecular weight of BAS 05290778 is 276.04 g/mol.
Where can I buy BAS 05290778?
You can request a quote for BAS 05290778 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05290778?
Yes, KEHONG BIO provides custom synthesis services for BAS 05290778 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.