4'-Carbomethoxyphenyl 4-guanidinobenzoate
TL;DR: 4'-Carbomethoxyphenyl 4-guanidinobenzoate (CAS 99450-77-8) is a chemical compound with molecular formula C16H15N3O4 and molecular weight 313.10626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methoxycarbonylphenyl) 4-(diaminomethylideneamino)benzoate
Also Known As: 4'-Cmgb, 4'-Carbomethoxyphenyl 4-guanidinobenzoate, J2.387.263C, methyl 4-(4-carbamimidamidobenzoyloxy)benzoate, (4-methoxycarbonylphenyl) 4-(diaminomethylideneamino)benzoate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H15N3O4 |
| Molecular Weight | 313.10626 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.10626 Da |
| Heavy Atoms | 23 |
| Complexity | 446.0 |
| SMILES | COC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N |
| InChIKey | NIBWPUGZCXNNPC-UHFFFAOYSA-N |
Chemical Property Profile of 4'-Carbomethoxyphenyl 4-guanidinobenzoate
Property Insights of 4'-Carbomethoxyphenyl 4-guanidinobenzoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Carbomethoxyphenyl 4-guanidinobenzoate. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Carbomethoxyphenyl 4-guanidinobenzoate. Following Lipinski's Rule of Five, 4'-Carbomethoxyphenyl 4-guanidinobenzoate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4'-Carbomethoxyphenyl 4-guanidinobenzoate?
The CAS number of 4'-Carbomethoxyphenyl 4-guanidinobenzoate is 99450-77-8.
What is the molecular formula of 4'-Carbomethoxyphenyl 4-guanidinobenzoate?
The molecular formula of 4'-Carbomethoxyphenyl 4-guanidinobenzoate is C16H15N3O4.
What is the molecular weight of 4'-Carbomethoxyphenyl 4-guanidinobenzoate?
The molecular weight of 4'-Carbomethoxyphenyl 4-guanidinobenzoate is 313.10626 g/mol.
Where can I buy 4'-Carbomethoxyphenyl 4-guanidinobenzoate?
You can request a quote for 4'-Carbomethoxyphenyl 4-guanidinobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4'-Carbomethoxyphenyl 4-guanidinobenzoate?
Yes, CoreyChem provides custom synthesis services for 4'-Carbomethoxyphenyl 4-guanidinobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.