PD 140376
TL;DR: PD 140376 (CAS 149027-97-4) is a chemical compound with molecular formula C33H40N4O5 and molecular weight 572.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-aminophenyl)butanoic acid
Also Known As: (3S)-3-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-aminophenyl)butanoic acid, 3-((4-Aminophenyl)methyl)-N-(alpha-methyl-N-((tricyclo(3.3.1.1)dec-2-yloxy)carbonyl)-D-tryptophyl)-beta-alanine, (S)-3-((R)-2-(((adamantan-2-yloxy)carbonyl)amino)-3-(1H-indol-3-yl)-2-methylpropanamido)-4-(4-aminophenyl)butanoic acid, (3S)-3-[(2R)-2-{[(adamantan-2-yloxy)carbonyl]amino}-2-[(1H-indol-3-yl)methyl]propanamido]-4-(4-aminophenyl)butanoic acid, (3S)-3-{[(2R)-2-({[(Adamantan-2-yl)oxy](hydroxy)methylidene}amino)-1-hydroxy-3-(1H-indol-3-yl)-2-methylpropylidene]amino}-4-(4-aminophenyl)butanoic acid
| Molecular Formula | C33H40N4O5 |
|---|---|
| Molecular Weight | 572.30 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 572.29987 |
| Heavy Atoms | 42 |
| Complexity | 971.0 |
Chemical Identifiers
| CAS Number | 149027-97-4 |
|---|---|
| SMILES | C[C@@](CC1=CNC2=CC=CC=C21)(C(=O)N[C@@H](CC3=CC=C(C=C3)N)CC(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6 |
| InChIKey | ADYHBZJCWPIGJS-FPRYDEEZSA-N |
Product Overview
PD 140376 (CAS 149027-97-4), with molecular formula C33H40N4O5 and molecular weight 572.30 g/mol. IUPAC: (3S)-3-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-aminophenyl)butanoic acid.
Chemical Property Profile of PD 140376
Property Insights of PD 140376
The XLogP value of 4.8 indicates that PD 140376 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting PD 140376 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PD 140376 has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of PD 140376?
The CAS number of PD 140376 is 149027-97-4.
What is the molecular formula of PD 140376?
The molecular formula of PD 140376 is C33H40N4O5.
What is the molecular weight of PD 140376?
The molecular weight of PD 140376 is 572.30 g/mol.
Where can I buy PD 140376?
You can request a quote for PD 140376 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PD 140376?
Yes, KEHONG BIO provides custom synthesis services for PD 140376 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.