Perchlorophenyl N-(benzyloxycarbonyl)-L-isoleucinate
TL;DR: Perchlorophenyl N-(benzyloxycarbonyl)-L-isoleucinate (CAS 13673-53-5) is a chemical compound with molecular formula C20H18Cl5NO4 and molecular weight 510.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentachlorophenyl) (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate
Also Known As: Linaclotide Impurity 32, Perchlorophenyl N-(benzyloxycarbonyl)-L-isoleucinate, pentachlorophenyl n-[(benzyloxy)carbonyl]-l-isoleucinate, perchlorophenyl ((benzyloxy)carbonyl)-L-isoleucinate, (2,3,4,5,6-pentachlorophenyl) (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate
| Molecular Formula | C20H18Cl5NO4 |
|---|---|
| Molecular Weight | 510.97 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 512.9649 |
| Heavy Atoms | 30 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 13673-53-5 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | PPNLLOVLDBYAFE-BTDLBPIBSA-N |
Product Overview
Perchlorophenyl N-(benzyloxycarbonyl)-L-isoleucinate (CAS 13673-53-5), with molecular formula C20H18Cl5NO4 and molecular weight 510.97 g/mol. IUPAC: (2,3,4,5,6-pentachlorophenyl) (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate.
Chemical Property Profile of Perchlorophenyl N-(benzyloxycarbonyl)-L-isoleucinate
Property Insights of Perchlorophenyl N-(benzyloxycarbonyl)-L-isoleucinate
The XLogP value of 7.8 indicates that Perchlorophenyl N-(benzyloxycarbonyl)-L-isoleucinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Perchlorophenyl N-(benzyloxycarbonyl)-L-isoleucinate. Following Lipinski's Rule of Five, Perchlorophenyl N-(benzyloxycarbonyl)-L-isoleucinate has 1 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 Perchlorophenyl N-(benzyloxycarbonyl)-L-isoleucinate?
The CAS number of Perchlorophenyl N-(benzyloxycarbonyl)-L-isoleucinate is 13673-53-5.
What is the molecular formula of Perchlorophenyl N-(benzyloxycarbonyl)-L-isoleucinate?
The molecular formula of Perchlorophenyl N-(benzyloxycarbonyl)-L-isoleucinate is C20H18Cl5NO4.
What is the molecular weight of Perchlorophenyl N-(benzyloxycarbonyl)-L-isoleucinate?
The molecular weight of Perchlorophenyl N-(benzyloxycarbonyl)-L-isoleucinate is 510.97 g/mol.
Where can I buy Perchlorophenyl N-(benzyloxycarbonyl)-L-isoleucinate?
You can request a quote for Perchlorophenyl N-(benzyloxycarbonyl)-L-isoleucinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Perchlorophenyl N-(benzyloxycarbonyl)-L-isoleucinate?
Yes, KEHONG BIO provides custom synthesis services for Perchlorophenyl N-(benzyloxycarbonyl)-L-isoleucinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.