RefChem:74185
TL;DR: RefChem:74185 (CAS 81094-03-3) is a chemical compound with molecular formula C51H73N13O10S2 and molecular weight 1091.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(10R,13S,16S,19S,22R)-13-(2-amino-2-oxoethyl)-19,22-dibenzyl-12,15,18,21,24-pentaoxo-16-propan-2-yl-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide
Also Known As: d(CH2)5(D-Phe(2))vavp, Skf 101071, SK&F 101071, SK&F-101071, 1-(2-Mercapto-beta,beta-cyclopentamethylenepropionic acid)-2-phenylalanyl-4-valine-argipressin
| Molecular Formula | C51H73N13O10S2 |
|---|---|
| Molecular Weight | 1091.50 g/mol |
| LogP | -0.9539 |
| Topological Polar Surface Area | 374.59 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 17 |
| Exact Mass | 1091.5045 |
| Heavy Atoms | 76 |
| Complexity | 2407.0732 |
Chemical Identifiers
| CAS Number | 81094-03-3 |
|---|---|
| SMILES | CC(C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSC2(CCCCC2)CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N |
Product Overview
RefChem:74185 (CAS 81094-03-3), with molecular formula C51H73N13O10S2 and molecular weight 1091.50 g/mol. IUPAC: (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(10R,13S,16S,19S,22R)-13-(2-amino-2-oxoethyl)-19,22-dibenzyl-12,15,18,21,24-pentaoxo-16-propan-2-yl-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide.
Chemical Property Profile of RefChem:74185
Property Insights of RefChem:74185
The XLogP value of -0.9539 indicates that RefChem:74185 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 374.59 Ų indicates high polarity, suggesting RefChem:74185 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:74185 has 11 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:74185?
The CAS number of RefChem:74185 is 81094-03-3.
What is the molecular formula of RefChem:74185?
The molecular formula of RefChem:74185 is C51H73N13O10S2.
What is the molecular weight of RefChem:74185?
The molecular weight of RefChem:74185 is 1091.50 g/mol.
Where can I buy RefChem:74185?
You can request a quote for RefChem:74185 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:74185?
Yes, KEHONG BIO provides custom synthesis services for RefChem:74185 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.