CTK1C5412
TL;DR: CTK1C5412 (CAS 3973-06-6) is a chemical compound with molecular formula C24H24N2O6S and molecular weight 468.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(3-oxo-2-phenyl-3-phenylmethoxypropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: (2s,5r,6r)-6-{[3-(benzyloxy)-3-oxo-2-phenylpropanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-(((Benzyloxy)-1,3-dioxo-2-phenylpropyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenyl-2-phenylmethoxycarbonyl-acetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(3-oxo-2-phenyl-3-phenylmethoxypropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,5R,6R)-6-{[3-(Benzyloxy)-1-hydroxy-3-oxo-2-phenylpropylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
| Molecular Formula | C24H24N2O6S |
|---|---|
| Molecular Weight | 468.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.1355 |
| Heavy Atoms | 33 |
| Complexity | 790.0 |
Chemical Identifiers
| CAS Number | 3973-06-6 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)C(=O)O)C |
| InChIKey | XISLDFJJHQQSDZ-GKTUAVMOSA-N |
Product Overview
CTK1C5412 (CAS 3973-06-6), with molecular formula C24H24N2O6S and molecular weight 468.14 g/mol. IUPAC: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(3-oxo-2-phenyl-3-phenylmethoxypropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of CTK1C5412
Property Insights of CTK1C5412
The XLogP value of 3.0 indicates that CTK1C5412 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK1C5412. Following Lipinski's Rule of Five, CTK1C5412 has 2 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 CTK1C5412?
The CAS number of CTK1C5412 is 3973-06-6.
What is the molecular formula of CTK1C5412?
The molecular formula of CTK1C5412 is C24H24N2O6S.
What is the molecular weight of CTK1C5412?
The molecular weight of CTK1C5412 is 468.14 g/mol.
Where can I buy CTK1C5412?
You can request a quote for CTK1C5412 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK1C5412?
Yes, KEHONG BIO provides custom synthesis services for CTK1C5412 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.