![tert-Butyl hydrogen [(2H-1,3-benzodioxol-5-yl)methylidene]carbonohydrazonate structure](/static/products/3112/31127-16-9.webp)
tert-Butyl hydrogen [(2H-1,3-benzodioxol-5-yl)methylidene]carbonohydrazonate
TL;DR: tert-Butyl hydrogen [(2H-1,3-benzodioxol-5-yl)methylidene]carbonohydrazonate (CAS 31127-16-9) is a chemical compound with molecular formula C13H16N2O4 and molecular weight 264.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(1,3-benzodioxol-5-ylmethylideneamino)carbamate
Also Known As: tert-butyl N-(1,3-benzodioxol-5-ylmethylideneamino)carbamate, Hydrazinecarboxylicacid, 2-(1,3-benzodioxol-5-ylmethylene)-, 1,1-dimethylethyl ester, tert-Butyl hydrogen [(2H-1,3-benzodioxol-5-yl)methylidene]carbonohydrazonate
| Molecular Formula | C13H16N2O4 |
|---|---|
| Molecular Weight | 264.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 69.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.111 |
| Heavy Atoms | 19 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 31127-16-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NN=CC1=CC2=C(C=C1)OCO2 |
| InChIKey | OYTFTYXFAYZEJQ-UHFFFAOYSA-N |
Product Overview
tert-Butyl hydrogen [(2H-1,3-benzodioxol-5-yl)methylidene]carbonohydrazonate (CAS 31127-16-9), with molecular formula C13H16N2O4 and molecular weight 264.11 g/mol. IUPAC: tert-butyl N-(1,3-benzodioxol-5-ylmethylideneamino)carbamate.
Chemical Property Profile of tert-Butyl hydrogen [(2H-1,3-benzodioxol-5-yl)methylidene]carbonohydrazonate
Property Insights of tert-Butyl hydrogen [(2H-1,3-benzodioxol-5-yl)methylidene]carbonohydrazonate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl hydrogen [(2H-1,3-benzodioxol-5-yl)methylidene]carbonohydrazonate. The TPSA of 69.2 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyl hydrogen [(2H-1,3-benzodioxol-5-yl)methylidene]carbonohydrazonate. Following Lipinski's Rule of Five, tert-Butyl hydrogen [(2H-1,3-benzodioxol-5-yl)methylidene]carbonohydrazonate has 1 hydrogen bond donor(s) and 5 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 tert-Butyl hydrogen [(2H-1,3-benzodioxol-5-yl)methylidene]carbonohydrazonate?
The CAS number of tert-Butyl hydrogen [(2H-1,3-benzodioxol-5-yl)methylidene]carbonohydrazonate is 31127-16-9.
What is the molecular formula of tert-Butyl hydrogen [(2H-1,3-benzodioxol-5-yl)methylidene]carbonohydrazonate?
The molecular formula of tert-Butyl hydrogen [(2H-1,3-benzodioxol-5-yl)methylidene]carbonohydrazonate is C13H16N2O4.
What is the molecular weight of tert-Butyl hydrogen [(2H-1,3-benzodioxol-5-yl)methylidene]carbonohydrazonate?
The molecular weight of tert-Butyl hydrogen [(2H-1,3-benzodioxol-5-yl)methylidene]carbonohydrazonate is 264.11 g/mol.
Where can I buy tert-Butyl hydrogen [(2H-1,3-benzodioxol-5-yl)methylidene]carbonohydrazonate?
You can request a quote for tert-Butyl hydrogen [(2H-1,3-benzodioxol-5-yl)methylidene]carbonohydrazonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl hydrogen [(2H-1,3-benzodioxol-5-yl)methylidene]carbonohydrazonate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl hydrogen [(2H-1,3-benzodioxol-5-yl)methylidene]carbonohydrazonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.