N-Carbamyltryptophan
TL;DR: N-Carbamyltryptophan (CAS 98299-50-4) is a chemical compound with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(carbamoylamino)-3-(1H-indol-3-yl)propanoic acid
Also Known As: N-Carbamyltryptophan, N-Carbamyl-trp, Carbamoyltryptophan, Carbamoyl-L-tryptophan, Tryptophan Impurity 15
| Molecular Formula | C12H13N3O3 |
|---|---|
| Molecular Weight | 247.10 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.09569 |
| Heavy Atoms | 18 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 98299-50-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)N |
| InChIKey | NWLXJVDJMARXSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Carbamyltryptophan (CAS 98299-50-4), with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol. IUPAC: 2-(carbamoylamino)-3-(1H-indol-3-yl)propanoic acid.
Chemical Property Profile of N-Carbamyltryptophan
Property Insights of N-Carbamyltryptophan
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Carbamyltryptophan. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Carbamyltryptophan. Following Lipinski's Rule of Five, N-Carbamyltryptophan has 4 hydrogen bond donor(s) and 3 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 N-Carbamyltryptophan?
The CAS number of N-Carbamyltryptophan is 98299-50-4.
What is the molecular formula of N-Carbamyltryptophan?
The molecular formula of N-Carbamyltryptophan is C12H13N3O3.
What is the molecular weight of N-Carbamyltryptophan?
The molecular weight of N-Carbamyltryptophan is 247.10 g/mol.
Where can I buy N-Carbamyltryptophan?
You can request a quote for N-Carbamyltryptophan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Carbamyltryptophan?
Yes, KEHONG BIO provides custom synthesis services for N-Carbamyltryptophan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.