VU0507364-1
TL;DR: VU0507364-1 (CAS 799794-55-1) is a chemical compound with molecular formula C21H20ClN3O3S2 and molecular weight 461.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methoxyphenyl)-2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide
Also Known As: VU0507364-1, 2-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(5-chloro-2-methoxyphenyl)acetamide, F3007-0114, N-(5-chloro-2-methoxyphenyl)-2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}acetamide, N-(5-chloro-2-methoxyphenyl)-2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide
| Molecular Formula | C21H20ClN3O3S2 |
|---|---|
| Molecular Weight | 461.06 g/mol |
| LogP | 4.5255 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.06348 |
| Heavy Atoms | 30 |
| Complexity | 1202.4053 |
Chemical Identifiers
| CAS Number | 799794-55-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CC=C |
Product Overview
VU0507364-1 (CAS 799794-55-1), with molecular formula C21H20ClN3O3S2 and molecular weight 461.06 g/mol. IUPAC: N-(5-chloro-2-methoxyphenyl)-2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide.
Chemical Property Profile of VU0507364-1
Property Insights of VU0507364-1
The XLogP value of 4.5255 indicates that VU0507364-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0507364-1. Following Lipinski's Rule of Five, VU0507364-1 has 1 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 VU0507364-1?
The CAS number of VU0507364-1 is 799794-55-1.
What is the molecular formula of VU0507364-1?
The molecular formula of VU0507364-1 is C21H20ClN3O3S2.
What is the molecular weight of VU0507364-1?
The molecular weight of VU0507364-1 is 461.06 g/mol.
Where can I buy VU0507364-1?
You can request a quote for VU0507364-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0507364-1?
Yes, KEHONG BIO provides custom synthesis services for VU0507364-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.