VU0618356-1
TL;DR: VU0618356-1 (CAS 727689-36-3) is a chemical compound with molecular formula C20H17N5OS3 and molecular weight 439.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
Also Known As: VU0618356-1, F3394-1059, 2-((2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide, 2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide, 2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
| Molecular Formula | C20H17N5OS3 |
|---|---|
| Molecular Weight | 439.06 g/mol |
| LogP | 4.73772 |
| Topological Polar Surface Area | 80.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.0595 |
| Heavy Atoms | 29 |
| Complexity | 1201.7812 |
Chemical Identifiers
| CAS Number | 727689-36-3 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)NC4=NC(=NS4)C5=CC=CC=C5 |
Product Overview
VU0618356-1 (CAS 727689-36-3), with molecular formula C20H17N5OS3 and molecular weight 439.06 g/mol. IUPAC: 2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide.
Chemical Property Profile of VU0618356-1
Property Insights of VU0618356-1
The XLogP value of 4.73772 indicates that VU0618356-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.66 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0618356-1. Following Lipinski's Rule of Five, VU0618356-1 has 1 hydrogen bond donor(s) and 8 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 VU0618356-1?
The CAS number of VU0618356-1 is 727689-36-3.
What is the molecular formula of VU0618356-1?
The molecular formula of VU0618356-1 is C20H17N5OS3.
What is the molecular weight of VU0618356-1?
The molecular weight of VU0618356-1 is 439.06 g/mol.
Where can I buy VU0618356-1?
You can request a quote for VU0618356-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0618356-1?
Yes, KEHONG BIO provides custom synthesis services for VU0618356-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.