C16H22N4O4S
TL;DR: C16H22N4O4S (CAS 903199-08-6) is a chemical compound with molecular formula C16H22N4O4S and molecular weight 366.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-aminoethyl)-2-(6,12,12-trimethyl-3,5-dioxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-4-yl)acetamide
Also Known As: N-(2-aminoethyl)-2-(1,6,6-trimethyl-2,4-dioxo-5,6-dihydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(2H,4H,8H)-yl)acetamide, N-(2-aminoethyl)-2-(1,6,6-trimethyl-2,4-dioxo-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetamide, N-(2-aminoethyl)-2-(1,6,6-trimethyl-2,4-dioxo-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-3-yl)acetamide
| Molecular Formula | C16H22N4O4S |
|---|---|
| Molecular Weight | 366.14 g/mol |
| LogP | -0.3121 |
| Topological Polar Surface Area | 108.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.13617 |
| Heavy Atoms | 25 |
| Complexity | 953.66614 |
Chemical Identifiers
| CAS Number | 903199-08-6 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=O)N3C)CC(=O)NCCN)C |
Product Overview
C16H22N4O4S (CAS 903199-08-6), with molecular formula C16H22N4O4S and molecular weight 366.14 g/mol. IUPAC: N-(2-aminoethyl)-2-(6,12,12-trimethyl-3,5-dioxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-4-yl)acetamide.
Chemical Property Profile of C16H22N4O4S
Property Insights of C16H22N4O4S
The XLogP value of -0.3121 indicates that C16H22N4O4S is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.35 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H22N4O4S. Following Lipinski's Rule of Five, C16H22N4O4S has 2 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 C16H22N4O4S?
The CAS number of C16H22N4O4S is 903199-08-6.
What is the molecular formula of C16H22N4O4S?
The molecular formula of C16H22N4O4S is C16H22N4O4S.
What is the molecular weight of C16H22N4O4S?
The molecular weight of C16H22N4O4S is 366.14 g/mol.
Where can I buy C16H22N4O4S?
You can request a quote for C16H22N4O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H22N4O4S?
Yes, KEHONG BIO provides custom synthesis services for C16H22N4O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.