C23H21N3O5S
TL;DR: C23H21N3O5S (CAS 50272-96-3) is a chemical compound with molecular formula C23H21N3O5S and molecular weight 451.12018 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-nitrophenyl)methyl 2-(3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)-3-methylbut-3-enoate
Also Known As: 4-Nitrobenzyl 2-(3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)-3-methylbut-3-enoate, J2.329.936D, (4-nitrophenyl)methyl 2-(3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)-3-methylbut-3-enoate, (4-nitrophenyl)methyl 2-{3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl}-3-methylbut-3-enoate, 1-METHYL-ETHENYL-7-OXO-3-(PHENYLMETHYL)-4-THIA-2,6-DIAZABICYCLO(3.2.0)HEPT-2- EN
Technical Specifications
| Molecular Formula | C23H21N3O5S |
| Molecular Weight | 451.12018 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 451.12018 Da |
| Heavy Atoms | 32 |
| Complexity | 796.0 |
| SMILES | CC(=C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C3C(C2=O)N=C(S3)CC4=CC=CC=C4 |
| InChIKey | VQOPKBVRTFJEKQ-UHFFFAOYSA-N |
Chemical Property Profile of C23H21N3O5S
Property Insights of C23H21N3O5S
The XLogP value of 4.3 indicates that C23H21N3O5S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C23H21N3O5S. Following Lipinski's Rule of Five, C23H21N3O5S has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C23H21N3O5S?
The CAS number of C23H21N3O5S is 50272-96-3.
What is the molecular formula of C23H21N3O5S?
The molecular formula of C23H21N3O5S is C23H21N3O5S.
What is the molecular weight of C23H21N3O5S?
The molecular weight of C23H21N3O5S is 451.12018 g/mol.
Where can I buy C23H21N3O5S?
You can request a quote for C23H21N3O5S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C23H21N3O5S?
Yes, CoreyChem provides custom synthesis services for C23H21N3O5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.