VU0314057-2
TL;DR: VU0314057-2 (CAS 401580-17-4) is a chemical compound with molecular formula C18H23N3OS and molecular weight 329.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-pyrrolidin-1-ylmethanone
Also Known As: VU0314057-2, (3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridin-2-yl)(pyrrolidin-1-yl)methanone, (6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-pyrrolidin-1-ylmethanone, 2-(1-PYRROLIDINYLCARBONYL)-5,6,7,8,9,10-HEXAHYDROCYCLOOCTA[B]THIENO[3,2-E]PYRIDIN-3-YLAMINE, 3-amino(5,6,7,8,9,10-hexahydrocycloocta[1,2-e]thiopheno[2,3-b]pyridin-2-yl) py rrolidinyl ketone
| Molecular Formula | C18H23N3OS |
|---|---|
| Molecular Weight | 329.16 g/mol |
| LogP | 3.7735 |
| Topological Polar Surface Area | 59.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 329.1562 |
| Heavy Atoms | 23 |
| Complexity | 746.2949 |
Chemical Identifiers
| CAS Number | 401580-17-4 |
|---|---|
| SMILES | C1CCCC2=NC3=C(C=C2CC1)C(=C(S3)C(=O)N4CCCC4)N |
Product Overview
VU0314057-2 (CAS 401580-17-4), with molecular formula C18H23N3OS and molecular weight 329.16 g/mol. IUPAC: (6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-pyrrolidin-1-ylmethanone.
Chemical Property Profile of VU0314057-2
Property Insights of VU0314057-2
The XLogP value of 3.7735 indicates that VU0314057-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.22 Ų, VU0314057-2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0314057-2 has 1 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 VU0314057-2?
The CAS number of VU0314057-2 is 401580-17-4.
What is the molecular formula of VU0314057-2?
The molecular formula of VU0314057-2 is C18H23N3OS.
What is the molecular weight of VU0314057-2?
The molecular weight of VU0314057-2 is 329.16 g/mol.
Where can I buy VU0314057-2?
You can request a quote for VU0314057-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0314057-2?
Yes, KEHONG BIO provides custom synthesis services for VU0314057-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.