S-4-bromobenzylglutathione cyclopentyl diester
TL;DR: S-4-bromobenzylglutathione cyclopentyl diester (CAS 166038-00-2) is a chemical compound with molecular formula C27H38BrN3O6S and molecular weight 611.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopentyl (2S)-2-amino-5-[[(2R)-3-[(4-bromophenyl)methylsulfanyl]-1-[(2-cyclopentyloxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate
Also Known As: BrBzGCp2, BrBzGSHCP2, BBGC, BBGCP2, S-4-Bromobenzylglutathione cyclopentyl diester
| Molecular Formula | C27H38BrN3O6S |
|---|---|
| Molecular Weight | 611.17 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 611.16644 |
| Heavy Atoms | 38 |
| Complexity | 783.0 |
Chemical Identifiers
| CAS Number | 166038-00-2 |
|---|---|
| SMILES | C1CCC(C1)OC(=O)CNC(=O)[C@H](CSCC2=CC=C(C=C2)Br)NC(=O)CC[C@@H](C(=O)OC3CCCC3)N |
| InChIKey | QIFSPGPRHFNZNN-GOTSBHOMSA-N |
Product Overview
S-4-bromobenzylglutathione cyclopentyl diester (CAS 166038-00-2), with molecular formula C27H38BrN3O6S and molecular weight 611.17 g/mol. IUPAC: cyclopentyl (2S)-2-amino-5-[[(2R)-3-[(4-bromophenyl)methylsulfanyl]-1-[(2-cyclopentyloxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate.
Chemical Property Profile of S-4-bromobenzylglutathione cyclopentyl diester
Property Insights of S-4-bromobenzylglutathione cyclopentyl diester
The XLogP value of 3.5 indicates that S-4-bromobenzylglutathione cyclopentyl diester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting S-4-bromobenzylglutathione cyclopentyl diester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-4-bromobenzylglutathione cyclopentyl diester has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-4-bromobenzylglutathione cyclopentyl diester?
The CAS number of S-4-bromobenzylglutathione cyclopentyl diester is 166038-00-2.
What is the molecular formula of S-4-bromobenzylglutathione cyclopentyl diester?
The molecular formula of S-4-bromobenzylglutathione cyclopentyl diester is C27H38BrN3O6S.
What is the molecular weight of S-4-bromobenzylglutathione cyclopentyl diester?
The molecular weight of S-4-bromobenzylglutathione cyclopentyl diester is 611.17 g/mol.
Where can I buy S-4-bromobenzylglutathione cyclopentyl diester?
You can request a quote for S-4-bromobenzylglutathione cyclopentyl diester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-4-bromobenzylglutathione cyclopentyl diester?
Yes, KEHONG BIO provides custom synthesis services for S-4-bromobenzylglutathione cyclopentyl diester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.