N(alpha)-(4-aminobutyryl)cystathionine
TL;DR: N(alpha)-(4-aminobutyryl)cystathionine (CAS 82162-00-3) is a chemical compound with molecular formula C11H21N3O5S and molecular weight 307.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(4-aminobutanoylamino)-4-[(2R)-2-amino-2-carboxyethyl]sulfanylbutanoic acid
Also Known As: N(alpha)-(4-Aminobutyryl)cystathionine, gamma-aminobutyryl-cystathionine, n-(4-aminobutanoyl)-s-[(2r)-2-amino-2-carboxyethyl]-l-homocysteine, (2S)-2-(4-aminobutanoylamino)-4-[(2R)-2-amino-2-carboxyethyl]sulfanylbutanoic acid, S-(2-Amino-2-carboxyethyl)-N-(4-amino-1-hydroxybutylidene)homocysteine
| Molecular Formula | C11H21N3O5S |
|---|---|
| Molecular Weight | 307.12 g/mol |
| LogP | -6.3 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 307.12018 |
| Heavy Atoms | 20 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 82162-00-3 |
|---|---|
| SMILES | C(CC(=O)N[C@@H](CCSC[C@@H](C(=O)O)N)C(=O)O)CN |
| InChIKey | HLZQGCPYTRRAMG-YUMQZZPRSA-N |
Product Overview
N(alpha)-(4-aminobutyryl)cystathionine (CAS 82162-00-3), with molecular formula C11H21N3O5S and molecular weight 307.12 g/mol. IUPAC: (2S)-2-(4-aminobutanoylamino)-4-[(2R)-2-amino-2-carboxyethyl]sulfanylbutanoic acid.
Chemical Property Profile of N(alpha)-(4-aminobutyryl)cystathionine
Property Insights of N(alpha)-(4-aminobutyryl)cystathionine
The XLogP value of -6.3 indicates that N(alpha)-(4-aminobutyryl)cystathionine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 181.0 Ų indicates high polarity, suggesting N(alpha)-(4-aminobutyryl)cystathionine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N(alpha)-(4-aminobutyryl)cystathionine has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N(alpha)-(4-aminobutyryl)cystathionine?
The CAS number of N(alpha)-(4-aminobutyryl)cystathionine is 82162-00-3.
What is the molecular formula of N(alpha)-(4-aminobutyryl)cystathionine?
The molecular formula of N(alpha)-(4-aminobutyryl)cystathionine is C11H21N3O5S.
What is the molecular weight of N(alpha)-(4-aminobutyryl)cystathionine?
The molecular weight of N(alpha)-(4-aminobutyryl)cystathionine is 307.12 g/mol.
Where can I buy N(alpha)-(4-aminobutyryl)cystathionine?
You can request a quote for N(alpha)-(4-aminobutyryl)cystathionine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N(alpha)-(4-aminobutyryl)cystathionine?
Yes, KEHONG BIO provides custom synthesis services for N(alpha)-(4-aminobutyryl)cystathionine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.