CTK3I6849
TL;DR: CTK3I6849 (CAS 93040-42-7) is a chemical compound with molecular formula C10H13NO4S and molecular weight 243.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R)-6-(methoxymethylidene)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: (2S,5R)-6-(Methoxymethylidene)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-(methoxymethylene)-3,3-dimethyl-7-oxo-, (2S,5R,6Z)-
| Molecular Formula | C10H13NO4S |
|---|---|
| Molecular Weight | 243.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 92.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.05653 |
| Heavy Atoms | 16 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 93040-42-7 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)C(=COC)C2=O)C(=O)O)C |
| InChIKey | PRRZHIROMDJJKW-POYBYMJQSA-N |
Product Overview
CTK3I6849 (CAS 93040-42-7), with molecular formula C10H13NO4S and molecular weight 243.06 g/mol. IUPAC: (2S,5R)-6-(methoxymethylidene)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of CTK3I6849
Property Insights of CTK3I6849
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK3I6849. The TPSA of 92.1 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK3I6849. Following Lipinski's Rule of Five, CTK3I6849 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 CTK3I6849?
The CAS number of CTK3I6849 is 93040-42-7.
What is the molecular formula of CTK3I6849?
The molecular formula of CTK3I6849 is C10H13NO4S.
What is the molecular weight of CTK3I6849?
The molecular weight of CTK3I6849 is 243.06 g/mol.
Where can I buy CTK3I6849?
You can request a quote for CTK3I6849 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3I6849?
Yes, KEHONG BIO provides custom synthesis services for CTK3I6849 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.