d(CH2)5-Ile(2)-abu(4)-avp
TL;DR: d(CH2)5-Ile(2)-abu(4)-avp (CAS 88686-52-6) is a chemical compound with molecular formula C47H73N13O10S2 and molecular weight 1043.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[[2-(2-aminobutanoylamino)-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylidenepropan-2-yl]-2-[[(2S)-2-[[(2R,3R)-3-methyl-2-[[2-(1-sulfanylcyclohexyl)acetyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]butanediamide
Also Known As: d(CH2)5-Ile(2)-abu(4)-avp, d(CH2)5-2-Ile-4-abu-argipressin, d(CH2)5(D-Ile(2),abu(4))avp, Argipressin, beta-mercapto-beta,beta-cyclopentamethylenepropionic acid(1)-ile(2)-abu(4)-, Arginine vasopressin,beta-mercapto-beta,beta-cyclopentamethylenepropionic acid(1)-ile(2)-abu(4)-
| Molecular Formula | C47H73N13O10S2 |
|---|---|
| Molecular Weight | 1043.50 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 408.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 28 |
| Exact Mass | 1043.5045 |
| Heavy Atoms | 72 |
| Complexity | 1960.0 |
Chemical Identifiers
| CAS Number | 88686-52-6 |
|---|---|
| SMILES | CC[C@@H](C)[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C=S)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)NC(=O)C(CC)N)NC(=O)CC3(CCCCC3)S |
| InChIKey | KCDXMAZNNZDJDC-UGTPRSSHSA-N |
Product Overview
d(CH2)5-Ile(2)-abu(4)-avp (CAS 88686-52-6), with molecular formula C47H73N13O10S2 and molecular weight 1043.50 g/mol. IUPAC: (2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[[2-(2-aminobutanoylamino)-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylidenepropan-2-yl]-2-[[(2S)-2-[[(2R,3R)-3-methyl-2-[[2-(1-sulfanylcyclohexyl)acetyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]butanediamide.
Chemical Property Profile of d(CH2)5-Ile(2)-abu(4)-avp
Property Insights of d(CH2)5-Ile(2)-abu(4)-avp
The XLogP value of -0.6 indicates that d(CH2)5-Ile(2)-abu(4)-avp is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 408.0 Ų indicates high polarity, suggesting d(CH2)5-Ile(2)-abu(4)-avp may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, d(CH2)5-Ile(2)-abu(4)-avp has 12 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of d(CH2)5-Ile(2)-abu(4)-avp?
The CAS number of d(CH2)5-Ile(2)-abu(4)-avp is 88686-52-6.
What is the molecular formula of d(CH2)5-Ile(2)-abu(4)-avp?
The molecular formula of d(CH2)5-Ile(2)-abu(4)-avp is C47H73N13O10S2.
What is the molecular weight of d(CH2)5-Ile(2)-abu(4)-avp?
The molecular weight of d(CH2)5-Ile(2)-abu(4)-avp is 1043.50 g/mol.
Where can I buy d(CH2)5-Ile(2)-abu(4)-avp?
You can request a quote for d(CH2)5-Ile(2)-abu(4)-avp directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for d(CH2)5-Ile(2)-abu(4)-avp?
Yes, KEHONG BIO provides custom synthesis services for d(CH2)5-Ile(2)-abu(4)-avp and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.