C14H16N2O4S
TL;DR: C14H16N2O4S (CAS 904006-87-7) is a chemical compound with molecular formula C14H16N2O4S and molecular weight 308.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(10,12-dioxo-9-propan-2-yl-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-isopropyl-2,4-dioxo-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(2H,4H,5H)-yl)acetic acid, [2,4-dioxo-1-(propan-2-yl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl]acetic acid
| Molecular Formula | C14H16N2O4S |
|---|---|
| Molecular Weight | 308.08 g/mol |
| LogP | 1.3789 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.08307 |
| Heavy Atoms | 21 |
| Complexity | 856.4519 |
Chemical Identifiers
| CAS Number | 904006-87-7 |
|---|---|
| SMILES | CC(C)N1C2=C(C3=C(S2)CCC3)C(=O)N(C1=O)CC(=O)O |
Product Overview
C14H16N2O4S (CAS 904006-87-7), with molecular formula C14H16N2O4S and molecular weight 308.08 g/mol. IUPAC: 2-(10,12-dioxo-9-propan-2-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-11-yl)acetic acid.
Chemical Property Profile of C14H16N2O4S
Property Insights of C14H16N2O4S
The XLogP value of 1.3789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C14H16N2O4S. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for C14H16N2O4S. Following Lipinski's Rule of Five, C14H16N2O4S 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 C14H16N2O4S?
The CAS number of C14H16N2O4S is 904006-87-7.
What is the molecular formula of C14H16N2O4S?
The molecular formula of C14H16N2O4S is C14H16N2O4S.
What is the molecular weight of C14H16N2O4S?
The molecular weight of C14H16N2O4S is 308.08 g/mol.
Where can I buy C14H16N2O4S?
You can request a quote for C14H16N2O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H16N2O4S?
Yes, KEHONG BIO provides custom synthesis services for C14H16N2O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.