N-(benzylcarbamothioyl)-1,3-benzodioxole-5-carboxamide
TL;DR: N-(benzylcarbamothioyl)-1,3-benzodioxole-5-carboxamide (CAS 708287-65-4) is a chemical compound with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(benzylcarbamothioyl)-1,3-benzodioxole-5-carboxamide
Also Known As: N-(benzylcarbamothioyl)-1,3-benzodioxole-5-carboxamide, N-[[(phenylmethyl)amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide, N-[(benzylamino)carbonothioyl]-1,3-benzodioxole-5-carboxamide, REGID_for_CID_953635
| Molecular Formula | C16H14N2O3S |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 2.2198 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.0725 |
| Heavy Atoms | 22 |
| Complexity | 703.79205 |
Chemical Identifiers
| CAS Number | 708287-65-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NCC3=CC=CC=C3 |
Product Overview
N-(benzylcarbamothioyl)-1,3-benzodioxole-5-carboxamide (CAS 708287-65-4), with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol. IUPAC: N-(benzylcarbamothioyl)-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-(benzylcarbamothioyl)-1,3-benzodioxole-5-carboxamide
Property Insights of N-(benzylcarbamothioyl)-1,3-benzodioxole-5-carboxamide
The XLogP value of 2.2198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(benzylcarbamothioyl)-1,3-benzodioxole-5-carboxamide. With a topological polar surface area (TPSA) of 59.59 Ų, N-(benzylcarbamothioyl)-1,3-benzodioxole-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(benzylcarbamothioyl)-1,3-benzodioxole-5-carboxamide has 2 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 N-(benzylcarbamothioyl)-1,3-benzodioxole-5-carboxamide?
The CAS number of N-(benzylcarbamothioyl)-1,3-benzodioxole-5-carboxamide is 708287-65-4.
What is the molecular formula of N-(benzylcarbamothioyl)-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-(benzylcarbamothioyl)-1,3-benzodioxole-5-carboxamide is C16H14N2O3S.
What is the molecular weight of N-(benzylcarbamothioyl)-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-(benzylcarbamothioyl)-1,3-benzodioxole-5-carboxamide is 314.07 g/mol.
Where can I buy N-(benzylcarbamothioyl)-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-(benzylcarbamothioyl)-1,3-benzodioxole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(benzylcarbamothioyl)-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(benzylcarbamothioyl)-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.