C15H16N2O4S
TL;DR: C15H16N2O4S (CAS 905015-47-6) is a chemical compound with molecular formula C15H16N2O4S and molecular weight 320.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[9-(2-methylprop-2-enyl)-10,12-dioxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-11-yl]acetic acid
Also Known As: 2-(1-(2-methylallyl)-2,4-dioxo-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(2H,4H,5H)-yl)acetic acid, [1-(2-methylprop-2-en-1-yl)-2,4-dioxo-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl]acetic acid
| Molecular Formula | C15H16N2O4S |
|---|---|
| Molecular Weight | 320.08 g/mol |
| LogP | 1.3741 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.08307 |
| Heavy Atoms | 22 |
| Complexity | 916.2361 |
Chemical Identifiers
| CAS Number | 905015-47-6 |
|---|---|
| SMILES | CC(=C)CN1C2=C(C3=C(S2)CCC3)C(=O)N(C1=O)CC(=O)O |
Product Overview
C15H16N2O4S (CAS 905015-47-6), with molecular formula C15H16N2O4S and molecular weight 320.08 g/mol. IUPAC: 2-[9-(2-methylprop-2-enyl)-10,12-dioxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-11-yl]acetic acid.
Chemical Property Profile of C15H16N2O4S
Property Insights of C15H16N2O4S
The XLogP value of 1.3741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C15H16N2O4S. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for C15H16N2O4S. Following Lipinski's Rule of Five, C15H16N2O4S 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 C15H16N2O4S?
The CAS number of C15H16N2O4S is 905015-47-6.
What is the molecular formula of C15H16N2O4S?
The molecular formula of C15H16N2O4S is C15H16N2O4S.
What is the molecular weight of C15H16N2O4S?
The molecular weight of C15H16N2O4S is 320.08 g/mol.
Where can I buy C15H16N2O4S?
You can request a quote for C15H16N2O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C15H16N2O4S?
Yes, KEHONG BIO provides custom synthesis services for C15H16N2O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.