C13H13N3O5S
TL;DR: C13H13N3O5S (CAS 903859-02-9) is a chemical compound with molecular formula C13H13N3O5S and molecular weight 323.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[9-(2-amino-2-oxoethyl)-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-amino-2-oxoethyl)-2,4-dioxo-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(2H,4H,5H)-yl)acetic acid, [1-(2-amino-2-oxoethyl)-2,4-dioxo-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl]acetic acid
| Molecular Formula | C13H13N3O5S |
|---|---|
| Molecular Weight | 323.06 g/mol |
| LogP | -0.7167 |
| Topological Polar Surface Area | 124.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.0576 |
| Heavy Atoms | 22 |
| Complexity | 920.3692 |
Chemical Identifiers
| CAS Number | 903859-02-9 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC(=O)N)CC(=O)O |
Product Overview
C13H13N3O5S (CAS 903859-02-9), with molecular formula C13H13N3O5S and molecular weight 323.06 g/mol. IUPAC: 2-[9-(2-amino-2-oxoethyl)-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 C13H13N3O5S
Property Insights of C13H13N3O5S
The XLogP value of -0.7167 indicates that C13H13N3O5S is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.39 Ų falls within the moderate polarity range, balancing permeability and solubility for C13H13N3O5S. Following Lipinski's Rule of Five, C13H13N3O5S has 2 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 C13H13N3O5S?
The CAS number of C13H13N3O5S is 903859-02-9.
What is the molecular formula of C13H13N3O5S?
The molecular formula of C13H13N3O5S is C13H13N3O5S.
What is the molecular weight of C13H13N3O5S?
The molecular weight of C13H13N3O5S is 323.06 g/mol.
Where can I buy C13H13N3O5S?
You can request a quote for C13H13N3O5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C13H13N3O5S?
Yes, KEHONG BIO provides custom synthesis services for C13H13N3O5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.