N-1,3-benzodioxol-5-yl-N~3~-(phenylsulfonyl)-beta-alaninamide
TL;DR: N-1,3-benzodioxol-5-yl-N~3~-(phenylsulfonyl)-beta-alaninamide (CAS 930453-81-9) is a chemical compound with molecular formula C16H16N2O5S and molecular weight 348.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfonamido)-N-(1,3-benzodioxol-5-yl)propanamide
Also Known As: N-1,3-benzodioxol-5-yl-N~3~-(phenylsulfonyl)-beta-alaninamide, 3-(benzenesulfonamido)-N-(1,3-benzodioxol-5-yl)propanamide
| Molecular Formula | C16H16N2O5S |
|---|---|
| Molecular Weight | 348.08 g/mol |
| LogP | 1.7224 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.078 |
| Heavy Atoms | 24 |
| Complexity | 836.8012 |
Chemical Identifiers
| CAS Number | 930453-81-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CCNS(=O)(=O)C3=CC=CC=C3 |
Product Overview
N-1,3-benzodioxol-5-yl-N~3~-(phenylsulfonyl)-beta-alaninamide (CAS 930453-81-9), with molecular formula C16H16N2O5S and molecular weight 348.08 g/mol. IUPAC: 3-(benzenesulfonamido)-N-(1,3-benzodioxol-5-yl)propanamide.
Chemical Property Profile of N-1,3-benzodioxol-5-yl-N~3~-(phenylsulfonyl)-beta-alaninamide
Property Insights of N-1,3-benzodioxol-5-yl-N~3~-(phenylsulfonyl)-beta-alaninamide
The XLogP value of 1.7224 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-1,3-benzodioxol-5-yl-N~3~-(phenylsulfonyl)-beta-alaninamide. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for N-1,3-benzodioxol-5-yl-N~3~-(phenylsulfonyl)-beta-alaninamide. Following Lipinski's Rule of Five, N-1,3-benzodioxol-5-yl-N~3~-(phenylsulfonyl)-beta-alaninamide has 2 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 N-1,3-benzodioxol-5-yl-N~3~-(phenylsulfonyl)-beta-alaninamide?
The CAS number of N-1,3-benzodioxol-5-yl-N~3~-(phenylsulfonyl)-beta-alaninamide is 930453-81-9.
What is the molecular formula of N-1,3-benzodioxol-5-yl-N~3~-(phenylsulfonyl)-beta-alaninamide?
The molecular formula of N-1,3-benzodioxol-5-yl-N~3~-(phenylsulfonyl)-beta-alaninamide is C16H16N2O5S.
What is the molecular weight of N-1,3-benzodioxol-5-yl-N~3~-(phenylsulfonyl)-beta-alaninamide?
The molecular weight of N-1,3-benzodioxol-5-yl-N~3~-(phenylsulfonyl)-beta-alaninamide is 348.08 g/mol.
Where can I buy N-1,3-benzodioxol-5-yl-N~3~-(phenylsulfonyl)-beta-alaninamide?
You can request a quote for N-1,3-benzodioxol-5-yl-N~3~-(phenylsulfonyl)-beta-alaninamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-1,3-benzodioxol-5-yl-N~3~-(phenylsulfonyl)-beta-alaninamide?
Yes, KEHONG BIO provides custom synthesis services for N-1,3-benzodioxol-5-yl-N~3~-(phenylsulfonyl)-beta-alaninamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.