(2S,3S)-N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-3-methylpentanamide
TL;DR: (2S,3S)-N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-3-methylpentanamide (CAS 956684-28-9) is a chemical compound with molecular formula C14H19N3O4 and molecular weight 293.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-3-methylpentanamide
Also Known As: AB00607381-05, (2S,3S)-N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-3-methylpentanamide, N-2H-1,3-Benzodioxol-5-yl-N~2~-carbamoyl-L-isoleucinamide
| Molecular Formula | C14H19N3O4 |
|---|---|
| Molecular Weight | 293.14 g/mol |
| LogP | 1.4368 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.13754 |
| Heavy Atoms | 21 |
| Complexity | 547.0207 |
Chemical Identifiers
| CAS Number | 956684-28-9 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)N |
Product Overview
(2S,3S)-N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-3-methylpentanamide (CAS 956684-28-9), with molecular formula C14H19N3O4 and molecular weight 293.14 g/mol. IUPAC: (2S,3S)-N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-3-methylpentanamide.
Chemical Property Profile of (2S,3S)-N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-3-methylpentanamide
Property Insights of (2S,3S)-N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-3-methylpentanamide
The XLogP value of 1.4368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,3S)-N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-3-methylpentanamide. The TPSA of 102.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,3S)-N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-3-methylpentanamide. Following Lipinski's Rule of Five, (2S,3S)-N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-3-methylpentanamide 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,3S)-N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-3-methylpentanamide?
The CAS number of (2S,3S)-N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-3-methylpentanamide is 956684-28-9.
What is the molecular formula of (2S,3S)-N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-3-methylpentanamide?
The molecular formula of (2S,3S)-N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-3-methylpentanamide is C14H19N3O4.
What is the molecular weight of (2S,3S)-N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-3-methylpentanamide?
The molecular weight of (2S,3S)-N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-3-methylpentanamide is 293.14 g/mol.
Where can I buy (2S,3S)-N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-3-methylpentanamide?
You can request a quote for (2S,3S)-N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-3-methylpentanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,3S)-N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-3-methylpentanamide?
Yes, KEHONG BIO provides custom synthesis services for (2S,3S)-N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-3-methylpentanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.