C19H25N3O6S
TL;DR: C19H25N3O6S (CAS 904504-99-0) is a chemical compound with molecular formula C19H25N3O6S and molecular weight 423.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[12,12-dimethyl-6-(2-morpholin-4-ylethyl)-3,5-dioxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-4-yl]acetic acid
Also Known As: 2-(6,6-dimethyl-1-(2-morpholinoethyl)-2,4-dioxo-5,6-dihydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(2H,4H,8H)-yl)acetic acid, {6,6-dimethyl-1-[2-(morpholin-4-yl)ethyl]-2,4-dioxo-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(4H)-yl}acetic acid
| Molecular Formula | C19H25N3O6S |
|---|---|
| Molecular Weight | 423.15 g/mol |
| LogP | 0.4928 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.1464 |
| Heavy Atoms | 29 |
| Complexity | 1060.5496 |
Chemical Identifiers
| CAS Number | 904504-99-0 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=O)N3CCN4CCOCC4)CC(=O)O)C |
Product Overview
C19H25N3O6S (CAS 904504-99-0), with molecular formula C19H25N3O6S and molecular weight 423.15 g/mol. IUPAC: 2-[12,12-dimethyl-6-(2-morpholin-4-ylethyl)-3,5-dioxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-4-yl]acetic acid.
Chemical Property Profile of C19H25N3O6S
Property Insights of C19H25N3O6S
The XLogP value of 0.4928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C19H25N3O6S. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C19H25N3O6S. Following Lipinski's Rule of Five, C19H25N3O6S 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 C19H25N3O6S?
The CAS number of C19H25N3O6S is 904504-99-0.
What is the molecular formula of C19H25N3O6S?
The molecular formula of C19H25N3O6S is C19H25N3O6S.
What is the molecular weight of C19H25N3O6S?
The molecular weight of C19H25N3O6S is 423.15 g/mol.
Where can I buy C19H25N3O6S?
You can request a quote for C19H25N3O6S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H25N3O6S?
Yes, KEHONG BIO provides custom synthesis services for C19H25N3O6S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.