C16H18N2O5S
TL;DR: C16H18N2O5S (CAS 903870-46-2) is a chemical compound with molecular formula C16H18N2O5S and molecular weight 350.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(12,12-dimethyl-3,5-dioxo-6-prop-2-enyl-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-(1-allyl-6,6-dimethyl-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-2,4-dioxo-1-(prop-2-en-1-yl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(4H)-yl]acetic acid
| Molecular Formula | C16H18N2O5S |
|---|---|
| Molecular Weight | 350.09 g/mol |
| LogP | 1.3466 |
| Topological Polar Surface Area | 90.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.09363 |
| Heavy Atoms | 24 |
| Complexity | 963.4738 |
Chemical Identifiers
| CAS Number | 903870-46-2 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=O)N3CC=C)CC(=O)O)C |
Product Overview
C16H18N2O5S (CAS 903870-46-2), with molecular formula C16H18N2O5S and molecular weight 350.09 g/mol. IUPAC: 2-(12,12-dimethyl-3,5-dioxo-6-prop-2-enyl-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 C16H18N2O5S
Property Insights of C16H18N2O5S
The XLogP value of 1.3466 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16H18N2O5S. The TPSA of 90.53 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H18N2O5S. Following Lipinski's Rule of Five, C16H18N2O5S 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 C16H18N2O5S?
The CAS number of C16H18N2O5S is 903870-46-2.
What is the molecular formula of C16H18N2O5S?
The molecular formula of C16H18N2O5S is C16H18N2O5S.
What is the molecular weight of C16H18N2O5S?
The molecular weight of C16H18N2O5S is 350.09 g/mol.
Where can I buy C16H18N2O5S?
You can request a quote for C16H18N2O5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H18N2O5S?
Yes, KEHONG BIO provides custom synthesis services for C16H18N2O5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.