VU0493879-1
TL;DR: VU0493879-1 (CAS 300557-90-8) is a chemical compound with molecular formula C12H12N4S2 and molecular weight 276.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraene-5-thione
Also Known As: VU0493879-1, A3302/0140306, 5-Methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-3(2H)-thione, 5-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol, 5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-ylhydrosulfide
| Molecular Formula | C12H12N4S2 |
|---|---|
| Molecular Weight | 276.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 276.05035 |
| Heavy Atoms | 18 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 300557-90-8 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCCC3)C4=NNC(=S)N14 |
| InChIKey | XVKYVKUHLSBCQL-UHFFFAOYSA-N |
Product Overview
VU0493879-1 (CAS 300557-90-8), with molecular formula C12H12N4S2 and molecular weight 276.05 g/mol. IUPAC: 7-methyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraene-5-thione.
Chemical Property Profile of VU0493879-1
Property Insights of VU0493879-1
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0493879-1. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0493879-1. Following Lipinski's Rule of Five, VU0493879-1 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 VU0493879-1?
The CAS number of VU0493879-1 is 300557-90-8.
What is the molecular formula of VU0493879-1?
The molecular formula of VU0493879-1 is C12H12N4S2.
What is the molecular weight of VU0493879-1?
The molecular weight of VU0493879-1 is 276.05 g/mol.
Where can I buy VU0493879-1?
You can request a quote for VU0493879-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0493879-1?
Yes, KEHONG BIO provides custom synthesis services for VU0493879-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.