C20H20N2O5S
TL;DR: C20H20N2O5S (CAS 903584-76-9) is a chemical compound with molecular formula C20H20N2O5S and molecular weight 400.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-benzyl-11,11-dimethyl-4,6-dioxo-12-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-yl)acetic acid
Also Known As: 2-(3-benzyl-7,7-dimethyl-2,4-dioxo-2,3,4,6,7,9-hexahydro-1H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-1-yl)acetic acid, (3-benzyl-7,7-dimethyl-2,4-dioxo-3,4,6,9-tetrahydro-7H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-1(2H)-yl)acetic acid
| Molecular Formula | C20H20N2O5S |
|---|---|
| Molecular Weight | 400.11 g/mol |
| LogP | 2.2089 |
| Topological Polar Surface Area | 90.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.10928 |
| Heavy Atoms | 28 |
| Complexity | 1187.257 |
Chemical Identifiers
| CAS Number | 903584-76-9 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C3=C(S2)C(=O)N(C(=O)N3CC(=O)O)CC4=CC=CC=C4)C |
Product Overview
C20H20N2O5S (CAS 903584-76-9), with molecular formula C20H20N2O5S and molecular weight 400.11 g/mol. IUPAC: 2-(5-benzyl-11,11-dimethyl-4,6-dioxo-12-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-yl)acetic acid.
Chemical Property Profile of C20H20N2O5S
Property Insights of C20H20N2O5S
The XLogP value of 2.2089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C20H20N2O5S. The TPSA of 90.53 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H20N2O5S. Following Lipinski's Rule of Five, C20H20N2O5S 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 C20H20N2O5S?
The CAS number of C20H20N2O5S is 903584-76-9.
What is the molecular formula of C20H20N2O5S?
The molecular formula of C20H20N2O5S is C20H20N2O5S.
What is the molecular weight of C20H20N2O5S?
The molecular weight of C20H20N2O5S is 400.11 g/mol.
Where can I buy C20H20N2O5S?
You can request a quote for C20H20N2O5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H20N2O5S?
Yes, KEHONG BIO provides custom synthesis services for C20H20N2O5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.