C14H17N3O4S
TL;DR: C14H17N3O4S (CAS 903863-13-8) is a chemical compound with molecular formula C14H17N3O4S and molecular weight 323.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5,11,11-trimethyl-4,6-dioxo-12-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-yl)acetamide
Also Known As: 2-(3,7,7-trimethyl-2,4-dioxo-2,3,4,6,7,9-hexahydro-1H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-1-yl)acetamide, 2-(3,7,7-trimethyl-2,4-dioxo-3,4,6,9-tetrahydro-7H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-1(2H)-yl)acetamide
| Molecular Formula | C14H17N3O4S |
|---|---|
| Molecular Weight | 323.09 g/mol |
| LogP | 0.0983 |
| Topological Polar Surface Area | 96.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.09396 |
| Heavy Atoms | 22 |
| Complexity | 903.41943 |
Chemical Identifiers
| CAS Number | 903863-13-8 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C3=C(S2)C(=O)N(C(=O)N3CC(=O)N)C)C |
Product Overview
C14H17N3O4S (CAS 903863-13-8), with molecular formula C14H17N3O4S and molecular weight 323.09 g/mol. IUPAC: 2-(5,11,11-trimethyl-4,6-dioxo-12-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-yl)acetamide.
Chemical Property Profile of C14H17N3O4S
Property Insights of C14H17N3O4S
The XLogP value of 0.0983 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C14H17N3O4S. The TPSA of 96.32 Ų falls within the moderate polarity range, balancing permeability and solubility for C14H17N3O4S. Following Lipinski's Rule of Five, C14H17N3O4S has 1 hydrogen bond donor(s) and 5 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 C14H17N3O4S?
The CAS number of C14H17N3O4S is 903863-13-8.
What is the molecular formula of C14H17N3O4S?
The molecular formula of C14H17N3O4S is C14H17N3O4S.
What is the molecular weight of C14H17N3O4S?
The molecular weight of C14H17N3O4S is 323.09 g/mol.
Where can I buy C14H17N3O4S?
You can request a quote for C14H17N3O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H17N3O4S?
Yes, KEHONG BIO provides custom synthesis services for C14H17N3O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.