VU0608498-1
TL;DR: VU0608498-1 (CAS 1052513-42-4) is a chemical compound with molecular formula C17H16ClN3O2S and molecular weight 361.0652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)benzoate;hydrochloride
Also Known As: VU0608498-1, F3277-0645, methyl 3-({7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl}amino)benzoate hydrochloride, methyl 3-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)amino)benzoate hydrochloride, methyl 3-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)benzoate;hydrochloride
Technical Specifications
| Molecular Formula | C17H16ClN3O2S |
| Molecular Weight | 361.0652 g/mol |
| XLogP | 4.132 |
| Topological Polar Surface Area (TPSA) | 92.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.0652 Da |
| Heavy Atoms | 24 |
| Complexity | 450.0 |
| SMILES | COC(=O)C1=CC(=CC=C1)NC2=C3C4=C(CCC4)SC3=NC=N2.Cl |
| InChIKey | AMYASVFXQCEFMW-UHFFFAOYSA-N |
Chemical Property Profile of VU0608498-1
Property Insights of VU0608498-1
The XLogP value of 4.132 indicates that VU0608498-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0608498-1. Following Lipinski's Rule of Five, VU0608498-1 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of VU0608498-1?
The CAS number of VU0608498-1 is 1052513-42-4.
What is the molecular formula of VU0608498-1?
The molecular formula of VU0608498-1 is C17H16ClN3O2S.
What is the molecular weight of VU0608498-1?
The molecular weight of VU0608498-1 is 361.0652 g/mol.
Where can I buy VU0608498-1?
You can request a quote for VU0608498-1 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for VU0608498-1?
Yes, CoreyChem provides custom synthesis services for VU0608498-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.