ChemDiv1_011181
TL;DR: ChemDiv1_011181 (CAS 52574-27-3) is a chemical compound with molecular formula C23H25N3O6 and molecular weight 439.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-hydroxy-2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
Also Known As: ChemDiv1_011181, methyl 2-(2-{[(benzyloxy)carbonyl]amino}-3-(1H-indol-3-yl)propanamido)-3-hydroxypropanoate, (S)-Methyl 2-((S)-2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanamido)-3-hydroxypropanoate, methyl (2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanoate, methyl 2-{[2-{[(benzyloxy)carbonyl]amino}-3-(1H-indol-3-yl)propanoyl]amino}-3-hydroxypropanoate
| Molecular Formula | C23H25N3O6 |
|---|---|
| Molecular Weight | 439.17 g/mol |
| LogP | 1.6555 |
| Topological Polar Surface Area | 129.75 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 439.17435 |
| Heavy Atoms | 32 |
| Complexity | 1065.7937 |
Chemical Identifiers
| CAS Number | 52574-27-3 |
|---|---|
| SMILES | COC(=O)C(CO)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3 |
Product Overview
ChemDiv1_011181 (CAS 52574-27-3), with molecular formula C23H25N3O6 and molecular weight 439.17 g/mol. IUPAC: methyl 3-hydroxy-2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate.
Chemical Property Profile of ChemDiv1_011181
Property Insights of ChemDiv1_011181
The XLogP value of 1.6555 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_011181. The TPSA of 129.75 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_011181. Following Lipinski's Rule of Five, ChemDiv1_011181 has 4 hydrogen bond donor(s) and 6 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 ChemDiv1_011181?
The CAS number of ChemDiv1_011181 is 52574-27-3.
What is the molecular formula of ChemDiv1_011181?
The molecular formula of ChemDiv1_011181 is C23H25N3O6.
What is the molecular weight of ChemDiv1_011181?
The molecular weight of ChemDiv1_011181 is 439.17 g/mol.
Where can I buy ChemDiv1_011181?
You can request a quote for ChemDiv1_011181 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011181?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011181 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.