PDSP1_000908
TL;DR: PDSP1_000908 (CAS 146516-50-9) is a chemical compound with molecular formula C30H37N3O5 and molecular weight 519.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-[[(2R)-3-(1H-indol-3-yl)-2-methyl-2-[[(1S,2S)-2-methylcyclohexyl]oxycarbonylamino]propanoyl]amino]-4-phenylbutanoic acid
Also Known As: PDSP1_000908, PDSP2_000894, pd 142,898 n-methyl-d-glucamine salt, (3S)-3-[(2R)-2-[(1H-indol-3-yl)methyl]-2-[({[(1S,2S)-2-methylcyclohexyl]oxy}carbonyl)amino]propanamido]-4-phenylbutanoic acid, (S)-N-[N-[[[(1S,2S)-2-Methylcyclohexyl]oxy]carbonyl]-2-[(1H-indol-3-yl)methyl]-L-alanyl]-3-benzyl-beta-alanine
| Molecular Formula | C30H37N3O5 |
|---|---|
| Molecular Weight | 519.27 g/mol |
| LogP | 4.9762 |
| Topological Polar Surface Area | 120.52 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 519.2733 |
| Heavy Atoms | 38 |
| Complexity | 1257.0215 |
Chemical Identifiers
| CAS Number | 146516-50-9 |
|---|---|
| SMILES | C[C@H]1CCCC[C@@H]1OC(=O)N[C@](C)(CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC4=CC=CC=C4)CC(=O)O |
Product Overview
PDSP1_000908 (CAS 146516-50-9), with molecular formula C30H37N3O5 and molecular weight 519.27 g/mol. IUPAC: (3S)-3-[[(2R)-3-(1H-indol-3-yl)-2-methyl-2-[[(1S,2S)-2-methylcyclohexyl]oxycarbonylamino]propanoyl]amino]-4-phenylbutanoic acid.
Chemical Property Profile of PDSP1_000908
Property Insights of PDSP1_000908
The XLogP value of 4.9762 indicates that PDSP1_000908 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.52 Ų falls within the moderate polarity range, balancing permeability and solubility for PDSP1_000908. Following Lipinski's Rule of Five, PDSP1_000908 has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of PDSP1_000908?
The CAS number of PDSP1_000908 is 146516-50-9.
What is the molecular formula of PDSP1_000908?
The molecular formula of PDSP1_000908 is C30H37N3O5.
What is the molecular weight of PDSP1_000908?
The molecular weight of PDSP1_000908 is 519.27 g/mol.
Where can I buy PDSP1_000908?
You can request a quote for PDSP1_000908 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PDSP1_000908?
Yes, KEHONG BIO provides custom synthesis services for PDSP1_000908 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.