(2S)-2-(丁-2-基氨基)-4-巯基丁酸
TL;DR: (2S)-2-(丁-2-基氨基)-4-巯基丁酸 (CAS 42349-31-5) is a chemical compound with molecular formula C8H17NO2S and molecular weight 191.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(丁-2-基氨基)-4-巯基丁酸
(2S)-2-(butan-2-ylamino)-4-sulfanylbutanoic acid
Also Known As: n-butan-2-yl-l-homocysteine, (2S)-2-(butan-2-ylamino)-4-sulfanylbutanoic acid
| Molecular Formula | C8H17NO2S |
|---|---|
| Molecular Weight | 191.10 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 50.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 191.098 |
| Heavy Atoms | 12 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 42349-31-5 |
|---|---|
| SMILES | CCC(C)N[C@@H](CCS)C(=O)O |
| InChIKey | MYRODVOOOGTAIE-MLWJPKLSSA-N |
Product Overview
(2S)-2-(丁-2-基氨基)-4-巯基丁酸 (CAS 42349-31-5), with molecular formula C8H17NO2S and molecular weight 191.10 g/mol. IUPAC: (2S)-2-(butan-2-ylamino)-4-sulfanylbutanoic acid.
Chemical Property Profile of (2S)-2-(丁-2-基氨基)-4-巯基丁酸
Property Insights of (2S)-2-(丁-2-基氨基)-4-巯基丁酸
The XLogP value of -0.9 indicates that (2S)-2-(丁-2-基氨基)-4-巯基丁酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.3 Ų, (2S)-2-(丁-2-基氨基)-4-巯基丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S)-2-(丁-2-基氨基)-4-巯基丁酸 has 3 hydrogen bond donor(s) and 4 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 (2S)-2-(丁-2-基氨基)-4-巯基丁酸?
The CAS number of (2S)-2-(丁-2-基氨基)-4-巯基丁酸 is 42349-31-5.
What is the molecular formula of (2S)-2-(丁-2-基氨基)-4-巯基丁酸?
The molecular formula of (2S)-2-(丁-2-基氨基)-4-巯基丁酸 is C8H17NO2S.
What is the molecular weight of (2S)-2-(丁-2-基氨基)-4-巯基丁酸?
The molecular weight of (2S)-2-(丁-2-基氨基)-4-巯基丁酸 is 191.10 g/mol.
Where can I buy (2S)-2-(丁-2-基氨基)-4-巯基丁酸?
You can request a quote for (2S)-2-(丁-2-基氨基)-4-巯基丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-(丁-2-基氨基)-4-巯基丁酸?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-(丁-2-基氨基)-4-巯基丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.