3-氨基-5-((甲氨基)羰基)苯甲酸
TL;DR: 3-氨基-5-((甲氨基)羰基)苯甲酸 (CAS 1954-96-7) is a chemical compound with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氨基-5-((甲氨基)羰基)苯甲酸
3-amino-5-(methylcarbamoyl)benzoic acid
Also Known As: 3-amino-5-(methylcarbamoyl)benzoic acid, 5-Amino-N-methylisophthalamic acid, 3-amino-5-[(methylamino)carbonyl]benzoic acid, 3-amino-5-carboxy-n-methylbenzamide, 5-Amino-N-methylisophthalamicacid
| Molecular Formula | C9H10N2O3 |
|---|---|
| Molecular Weight | 194.07 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.06914 |
| Heavy Atoms | 14 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 1954-96-7 |
|---|---|
| SMILES | CNC(=O)C1=CC(=CC(=C1)N)C(=O)O |
| InChIKey | SIIWAVHOCVSSKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氨基-5-((甲氨基)羰基)苯甲酸 (CAS 1954-96-7), with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol. IUPAC: 3-amino-5-(methylcarbamoyl)benzoic acid.
Chemical Property Profile of 3-氨基-5-((甲氨基)羰基)苯甲酸
Property Insights of 3-氨基-5-((甲氨基)羰基)苯甲酸
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氨基-5-((甲氨基)羰基)苯甲酸. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-氨基-5-((甲氨基)羰基)苯甲酸. Following Lipinski's Rule of Five, 3-氨基-5-((甲氨基)羰基)苯甲酸 has 3 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 3-氨基-5-((甲氨基)羰基)苯甲酸?
The CAS number of 3-氨基-5-((甲氨基)羰基)苯甲酸 is 1954-96-7.
What is the molecular formula of 3-氨基-5-((甲氨基)羰基)苯甲酸?
The molecular formula of 3-氨基-5-((甲氨基)羰基)苯甲酸 is C9H10N2O3.
What is the molecular weight of 3-氨基-5-((甲氨基)羰基)苯甲酸?
The molecular weight of 3-氨基-5-((甲氨基)羰基)苯甲酸 is 194.07 g/mol.
Where can I buy 3-氨基-5-((甲氨基)羰基)苯甲酸?
You can request a quote for 3-氨基-5-((甲氨基)羰基)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 3-氨基-5-((甲氨基)羰基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-氨基-5-((甲氨基)羰基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.