邻-((4-氧代-2-氮杂环丁基)硫基)苯甲酸
TL;DR: 邻-((4-氧代-2-氮杂环丁基)硫基)苯甲酸 (CAS 31898-73-4) is a chemical compound with molecular formula C10H9NO3S and molecular weight 223.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻-((4-氧代-2-氮杂环丁基)硫基)苯甲酸
2-(4-oxoazetidin-2-yl)sulfanylbenzoic acid
Also Known As: 2-(4-oxoazetidin-2-yl)sulfanylbenzoic Acid, Benzoic acid, o-((4-oxo-2-azetidinyl)thio)-, 2-[(4-Hydroxy-2,3-dihydroazet-2-yl)sulfanyl]benzoic acid
| Molecular Formula | C10H9NO3S |
|---|---|
| Molecular Weight | 223.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.03032 |
| Heavy Atoms | 15 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 31898-73-4 |
|---|---|
| SMILES | C1C(NC1=O)SC2=CC=CC=C2C(=O)O |
| InChIKey | UJHPAPCWSHFRPQ-UHFFFAOYSA-N |
Product Overview
邻-((4-氧代-2-氮杂环丁基)硫基)苯甲酸 (CAS 31898-73-4), with molecular formula C10H9NO3S and molecular weight 223.03 g/mol. IUPAC: 2-(4-oxoazetidin-2-yl)sulfanylbenzoic acid.
Chemical Property Profile of 邻-((4-氧代-2-氮杂环丁基)硫基)苯甲酸
Property Insights of 邻-((4-氧代-2-氮杂环丁基)硫基)苯甲酸
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 邻-((4-氧代-2-氮杂环丁基)硫基)苯甲酸. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 邻-((4-氧代-2-氮杂环丁基)硫基)苯甲酸. Following Lipinski's Rule of Five, 邻-((4-氧代-2-氮杂环丁基)硫基)苯甲酸 has 2 hydrogen bond donor(s) and 4 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 邻-((4-氧代-2-氮杂环丁基)硫基)苯甲酸?
The CAS number of 邻-((4-氧代-2-氮杂环丁基)硫基)苯甲酸 is 31898-73-4.
What is the molecular formula of 邻-((4-氧代-2-氮杂环丁基)硫基)苯甲酸?
The molecular formula of 邻-((4-氧代-2-氮杂环丁基)硫基)苯甲酸 is C10H9NO3S.
What is the molecular weight of 邻-((4-氧代-2-氮杂环丁基)硫基)苯甲酸?
The molecular weight of 邻-((4-氧代-2-氮杂环丁基)硫基)苯甲酸 is 223.03 g/mol.
Where can I buy 邻-((4-氧代-2-氮杂环丁基)硫基)苯甲酸?
You can request a quote for 邻-((4-氧代-2-氮杂环丁基)硫基)苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻-((4-氧代-2-氮杂环丁基)硫基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 邻-((4-氧代-2-氮杂环丁基)硫基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.