C17H21N3O5S
TL;DR: C17H21N3O5S (CAS 904006-00-4) is a chemical compound with molecular formula C17H21N3O5S and molecular weight 379.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[9-(2-morpholin-4-ylethyl)-10,12-dioxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-11-yl]acetic acid
Also Known As: 2-(1-(2-morpholinoethyl)-2,4-dioxo-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(2H,4H,5H)-yl)acetic acid, {1-[2-(morpholin-4-yl)ethyl]-2,4-dioxo-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl}acetic acid
| Molecular Formula | C17H21N3O5S |
|---|---|
| Molecular Weight | 379.12 g/mol |
| LogP | 0.1302 |
| Topological Polar Surface Area | 93.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.12018 |
| Heavy Atoms | 26 |
| Complexity | 967.40436 |
Chemical Identifiers
| CAS Number | 904006-00-4 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=O)N3CCN4CCOCC4)CC(=O)O |
Product Overview
C17H21N3O5S (CAS 904006-00-4), with molecular formula C17H21N3O5S and molecular weight 379.12 g/mol. IUPAC: 2-[9-(2-morpholin-4-ylethyl)-10,12-dioxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-11-yl]acetic acid.
Chemical Property Profile of C17H21N3O5S
Property Insights of C17H21N3O5S
The XLogP value of 0.1302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C17H21N3O5S. The TPSA of 93.77 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H21N3O5S. Following Lipinski's Rule of Five, C17H21N3O5S has 1 hydrogen bond donor(s) and 6 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 C17H21N3O5S?
The CAS number of C17H21N3O5S is 904006-00-4.
What is the molecular formula of C17H21N3O5S?
The molecular formula of C17H21N3O5S is C17H21N3O5S.
What is the molecular weight of C17H21N3O5S?
The molecular weight of C17H21N3O5S is 379.12 g/mol.
Where can I buy C17H21N3O5S?
You can request a quote for C17H21N3O5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H21N3O5S?
Yes, KEHONG BIO provides custom synthesis services for C17H21N3O5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.