C20H22N2O3S
TL;DR: C20H22N2O3S (CAS 903849-49-0) is a chemical compound with molecular formula C20H22N2O3S and molecular weight 370.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,11,11-trimethyl-5-(2-phenylethyl)-12-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-4,6-dione
Also Known As: 1,7,7-trimethyl-3-phenethyl-6,7-dihydro-1H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidine-2,4(3H,9H)-dione, 1,7,7-trimethyl-3-(2-phenylethyl)-6,9-dihydro-7H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C20H22N2O3S |
|---|---|
| Molecular Weight | 370.14 g/mol |
| LogP | 2.8557 |
| Topological Polar Surface Area | 53.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.1351 |
| Heavy Atoms | 26 |
| Complexity | 1090.1722 |
Chemical Identifiers
| CAS Number | 903849-49-0 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C3=C(S2)C(=O)N(C(=O)N3C)CCC4=CC=CC=C4)C |
Product Overview
C20H22N2O3S (CAS 903849-49-0), with molecular formula C20H22N2O3S and molecular weight 370.14 g/mol. IUPAC: 3,11,11-trimethyl-5-(2-phenylethyl)-12-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-4,6-dione.
Chemical Property Profile of C20H22N2O3S
Property Insights of C20H22N2O3S
The XLogP value of 2.8557 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C20H22N2O3S. With a topological polar surface area (TPSA) of 53.23 Ų, C20H22N2O3S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C20H22N2O3S has 0 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 C20H22N2O3S?
The CAS number of C20H22N2O3S is 903849-49-0.
What is the molecular formula of C20H22N2O3S?
The molecular formula of C20H22N2O3S is C20H22N2O3S.
What is the molecular weight of C20H22N2O3S?
The molecular weight of C20H22N2O3S is 370.14 g/mol.
Where can I buy C20H22N2O3S?
You can request a quote for C20H22N2O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H22N2O3S?
Yes, KEHONG BIO provides custom synthesis services for C20H22N2O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.