ChemDiv1_000389
TL;DR: ChemDiv1_000389 (CAS 55878-81-4) is a chemical compound with molecular formula C22H31N3O5 and molecular weight 417.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methylbutanoate
Also Known As: ChemDiv1_000389, BAS 00380317, methyl N-(tert-butoxycarbonyl)tryptophylvalinate, methyl 2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methylbutanoate, METHYL 2-(2-{[(TERT-BUTOXY)CARBONYL]AMINO}-3-(1H-INDOL-3-YL)PROPANAMIDO)-3-METHYLBUTANOATE
| Molecular Formula | C22H31N3O5 |
|---|---|
| Molecular Weight | 417.23 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 417.22638 |
| Heavy Atoms | 30 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 55878-81-4 |
|---|---|
| SMILES | CC(C)C(C(=O)OC)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OC(C)(C)C |
| InChIKey | XWDOHABSDMDMQB-UHFFFAOYSA-N |
Product Overview
ChemDiv1_000389 (CAS 55878-81-4), with molecular formula C22H31N3O5 and molecular weight 417.23 g/mol. IUPAC: methyl 2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methylbutanoate.
Chemical Property Profile of ChemDiv1_000389
Property Insights of ChemDiv1_000389
The XLogP value of 3.1 indicates that ChemDiv1_000389 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000389. Following Lipinski's Rule of Five, ChemDiv1_000389 has 3 hydrogen bond donor(s) and 5 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_000389?
The CAS number of ChemDiv1_000389 is 55878-81-4.
What is the molecular formula of ChemDiv1_000389?
The molecular formula of ChemDiv1_000389 is C22H31N3O5.
What is the molecular weight of ChemDiv1_000389?
The molecular weight of ChemDiv1_000389 is 417.23 g/mol.
Where can I buy ChemDiv1_000389?
You can request a quote for ChemDiv1_000389 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000389?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000389 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.