5-(Benzyloxycarbonylphenylalanylarginylthioamido)isophthalic acid dimethyl ester
TL;DR: 5-(Benzyloxycarbonylphenylalanylarginylthioamido)isophthalic acid dimethyl ester (CAS 111070-40-7) is a chemical compound with molecular formula C33H39BrN6O8S and molecular weight 758.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentan-2-yl]amino]sulfanylbenzene-1,3-dicarboxylate;hydrobromide
Also Known As: Papaie, Z-Phe-arg-psi(CS)-aie, 5-(Benzyloxycarbonylphenylalanylarginylthioamido)isophthalic acid dimethyl ester, dimethyl 5-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentan-2-yl]amino]sulfanylbenzene-1,3-dicarboxylate;hydrobromide, L-Argininamide, N-((phenylmethoxy)carbonyl)-L-phenylalanyl-N-(3,5-bis(methoxycarbonyl)phenyl)thio-, monohydrobromide
| Molecular Formula | C33H39BrN6O8S |
|---|---|
| Molecular Weight | 758.17 g/mol |
| LogP | 3.0371 |
| Topological Polar Surface Area | 213.53 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 16 |
| Exact Mass | 758.17334 |
| Heavy Atoms | 49 |
| Complexity | 1558.2583 |
Chemical Identifiers
| CAS Number | 111070-40-7 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)SN[C@@H](CCCN=C(N)N)C(=O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C(=O)OC.Br |
Product Overview
5-(Benzyloxycarbonylphenylalanylarginylthioamido)isophthalic acid dimethyl ester (CAS 111070-40-7), with molecular formula C33H39BrN6O8S and molecular weight 758.17 g/mol. IUPAC: dimethyl 5-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentan-2-yl]amino]sulfanylbenzene-1,3-dicarboxylate;hydrobromide.
Chemical Property Profile of 5-(Benzyloxycarbonylphenylalanylarginylthioamido)isophthalic acid dimethyl ester
Property Insights of 5-(Benzyloxycarbonylphenylalanylarginylthioamido)isophthalic acid dimethyl ester
The XLogP value of 3.0371 indicates that 5-(Benzyloxycarbonylphenylalanylarginylthioamido)isophthalic acid dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 213.53 Ų indicates high polarity, suggesting 5-(Benzyloxycarbonylphenylalanylarginylthioamido)isophthalic acid dimethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(Benzyloxycarbonylphenylalanylarginylthioamido)isophthalic acid dimethyl ester has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(Benzyloxycarbonylphenylalanylarginylthioamido)isophthalic acid dimethyl ester?
The CAS number of 5-(Benzyloxycarbonylphenylalanylarginylthioamido)isophthalic acid dimethyl ester is 111070-40-7.
What is the molecular formula of 5-(Benzyloxycarbonylphenylalanylarginylthioamido)isophthalic acid dimethyl ester?
The molecular formula of 5-(Benzyloxycarbonylphenylalanylarginylthioamido)isophthalic acid dimethyl ester is C33H39BrN6O8S.
What is the molecular weight of 5-(Benzyloxycarbonylphenylalanylarginylthioamido)isophthalic acid dimethyl ester?
The molecular weight of 5-(Benzyloxycarbonylphenylalanylarginylthioamido)isophthalic acid dimethyl ester is 758.17 g/mol.
Where can I buy 5-(Benzyloxycarbonylphenylalanylarginylthioamido)isophthalic acid dimethyl ester?
You can request a quote for 5-(Benzyloxycarbonylphenylalanylarginylthioamido)isophthalic acid dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Benzyloxycarbonylphenylalanylarginylthioamido)isophthalic acid dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-(Benzyloxycarbonylphenylalanylarginylthioamido)isophthalic acid dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.