J1.533.817B
TL;DR: J1.533.817B (CAS 94126-60-0) is a chemical compound with molecular formula C16H17ClN4O4 and molecular weight 364.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(carbamoylamino)-4-[(4-chlorophenyl)carbamoyl]-2,5-dimethylpyrrole-3-carboxylate
Also Known As: J1.533.817B, methyl 1-(carbamoylamino)-4-[(4-chlorophenyl)carbamoyl]-2,5-, METHYL 1-(CARBAMOYLAMINO)-4-[(4-CHLOROPHENYL)CARBAMOYL]-2,5-DIMETHYL-PYRROLE-3-CARBOXYLATE, Methyl 1-(carbamoylamino)-4-[(4-chlorophenyl)carbamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate, methyl 1-(carbamoylamino)-4-[(4-chlorophenyl)carbamoyl]-2,5-dimethylpyrrole-3-carboxylate
| Molecular Formula | C16H17ClN4O4 |
|---|---|
| Molecular Weight | 364.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.09384 |
| Heavy Atoms | 25 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 94126-60-0 |
|---|---|
| SMILES | CC1=C(C(=C(N1NC(=O)N)C)C(=O)OC)C(=O)NC2=CC=C(C=C2)Cl |
| InChIKey | OXPJUQYDMRKSAW-UHFFFAOYSA-N |
Product Overview
J1.533.817B (CAS 94126-60-0), with molecular formula C16H17ClN4O4 and molecular weight 364.09 g/mol. IUPAC: methyl 1-(carbamoylamino)-4-[(4-chlorophenyl)carbamoyl]-2,5-dimethylpyrrole-3-carboxylate.
Chemical Property Profile of J1.533.817B
Property Insights of J1.533.817B
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.533.817B. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.533.817B. Following Lipinski's Rule of Five, J1.533.817B 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 J1.533.817B?
The CAS number of J1.533.817B is 94126-60-0.
What is the molecular formula of J1.533.817B?
The molecular formula of J1.533.817B is C16H17ClN4O4.
What is the molecular weight of J1.533.817B?
The molecular weight of J1.533.817B is 364.09 g/mol.
Where can I buy J1.533.817B?
You can request a quote for J1.533.817B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.533.817B?
Yes, KEHONG BIO provides custom synthesis services for J1.533.817B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.