PD 161182
TL;DR: PD 161182 (CAS 168570-35-2) is a chemical compound with molecular formula C29H40F2N4O4 and molecular weight 546.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S)-2-methyl-1-phenylpropyl] N-[(2R)-1-[7-(carbamoylamino)heptylamino]-3-(2,3-difluorophenyl)-2-methyl-1-oxopropan-2-yl]carbamate
Also Known As: PD 161182, [(1S)-2-Methyl-1-phenylpropyl] N-[(2R)-1-[7-(carbamoylamino)heptylamino]-3-(2,3-difluorophenyl)-2-methyl-1-oxopropan-2-yl]carbamate, [(R)-2-(2,3-Difluoro-phenyl)-1-methyl-1-(7-ureido-heptylcarbamoyl)-ethyl]-carbamic acid (S)-2-methyl-1-phenyl-propyl ester, (1S)-2-methyl-1-phenylpropyl N-[(1R)-1-{[7-(carbamoylamino)heptyl]carbamoyl}-1-[(2,3-difluorophenyl)methyl]ethyl]carbamate, [(R)-2,3-Difluoro-alpha-methyl-alpha-[(7-ureidoheptyl)carbamoyl]phenethyl]carbamic acid (S)-alpha-isopropylbenzyl ester
| Molecular Formula | C29H40F2N4O4 |
|---|---|
| Molecular Weight | 546.30 g/mol |
| LogP | 5.1245 |
| Topological Polar Surface Area | 122.55 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 546.30176 |
| Heavy Atoms | 39 |
| Complexity | 1084.2122 |
Chemical Identifiers
| CAS Number | 168570-35-2 |
|---|---|
| SMILES | CC(C)[C@@H](C1=CC=CC=C1)OC(=O)N[C@](C)(CC2=C(C(=CC=C2)F)F)C(=O)NCCCCCCCNC(=O)N |
Product Overview
PD 161182 (CAS 168570-35-2), with molecular formula C29H40F2N4O4 and molecular weight 546.30 g/mol. IUPAC: [(1S)-2-methyl-1-phenylpropyl] N-[(2R)-1-[7-(carbamoylamino)heptylamino]-3-(2,3-difluorophenyl)-2-methyl-1-oxopropan-2-yl]carbamate.
Chemical Property Profile of PD 161182
Property Insights of PD 161182
The XLogP value of 5.1245 indicates that PD 161182 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.55 Ų falls within the moderate polarity range, balancing permeability and solubility for PD 161182. Following Lipinski's Rule of Five, PD 161182 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 PD 161182?
The CAS number of PD 161182 is 168570-35-2.
What is the molecular formula of PD 161182?
The molecular formula of PD 161182 is C29H40F2N4O4.
What is the molecular weight of PD 161182?
The molecular weight of PD 161182 is 546.30 g/mol.
Where can I buy PD 161182?
You can request a quote for PD 161182 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PD 161182?
Yes, KEHONG BIO provides custom synthesis services for PD 161182 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.