VU0172513-5
TL;DR: VU0172513-5 (CAS 690645-41-1) is a chemical compound with molecular formula C20H23N3O2S2 and molecular weight 401.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone
Also Known As: VU0172513-5, 2-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ylthio)-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone, 1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl}ethan-1-one, 2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone, 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone
| Molecular Formula | C20H23N3O2S2 |
|---|---|
| Molecular Weight | 401.12 g/mol |
| LogP | 4.21974 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.12317 |
| Heavy Atoms | 27 |
| Complexity | 1006.4835 |
Chemical Identifiers
| CAS Number | 690645-41-1 |
|---|---|
| SMILES | CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC=NC3=C2C4=C(S3)CCC4 |
Product Overview
VU0172513-5 (CAS 690645-41-1), with molecular formula C20H23N3O2S2 and molecular weight 401.12 g/mol. IUPAC: 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone.
Chemical Property Profile of VU0172513-5
Property Insights of VU0172513-5
The XLogP value of 4.21974 indicates that VU0172513-5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, VU0172513-5 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0172513-5 has 0 hydrogen bond donor(s) and 6 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 VU0172513-5?
The CAS number of VU0172513-5 is 690645-41-1.
What is the molecular formula of VU0172513-5?
The molecular formula of VU0172513-5 is C20H23N3O2S2.
What is the molecular weight of VU0172513-5?
The molecular weight of VU0172513-5 is 401.12 g/mol.
Where can I buy VU0172513-5?
You can request a quote for VU0172513-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0172513-5?
Yes, KEHONG BIO provides custom synthesis services for VU0172513-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.