C16H20N2O6S
TL;DR: C16H20N2O6S (CAS 905428-19-5) is a chemical compound with molecular formula C16H20N2O6S and molecular weight 368.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(2-hydroxyethyl)-12,12-dimethyl-3,5-dioxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]acetate
Also Known As: methyl 2-(3-(2-hydroxyethyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)acetate, methyl [3-(2-hydroxyethyl)-6,6-dimethyl-2,4-dioxo-3,4,5,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1(6H)-yl]acetate
| Molecular Formula | C16H20N2O6S |
|---|---|
| Molecular Weight | 368.10 g/mol |
| LogP | 0.2413 |
| Topological Polar Surface Area | 99.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.10422 |
| Heavy Atoms | 25 |
| Complexity | 952.1564 |
Chemical Identifiers
| CAS Number | 905428-19-5 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=O)N3CC(=O)OC)CCO)C |
Product Overview
C16H20N2O6S (CAS 905428-19-5), with molecular formula C16H20N2O6S and molecular weight 368.10 g/mol. IUPAC: methyl 2-[4-(2-hydroxyethyl)-12,12-dimethyl-3,5-dioxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]acetate.
Chemical Property Profile of C16H20N2O6S
Property Insights of C16H20N2O6S
The XLogP value of 0.2413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16H20N2O6S. The TPSA of 99.76 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H20N2O6S. Following Lipinski's Rule of Five, C16H20N2O6S has 1 hydrogen bond donor(s) and 7 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 C16H20N2O6S?
The CAS number of C16H20N2O6S is 905428-19-5.
What is the molecular formula of C16H20N2O6S?
The molecular formula of C16H20N2O6S is C16H20N2O6S.
What is the molecular weight of C16H20N2O6S?
The molecular weight of C16H20N2O6S is 368.10 g/mol.
Where can I buy C16H20N2O6S?
You can request a quote for C16H20N2O6S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H20N2O6S?
Yes, KEHONG BIO provides custom synthesis services for C16H20N2O6S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.