![3,3'-Thiobis[N-1,3-benzodioxol-5-ylpropanamide] structure](/static/products/5484/548470-13-9.webp)
3,3'-Thiobis[N-1,3-benzodioxol-5-ylpropanamide]
TL;DR: 3,3'-Thiobis[N-1,3-benzodioxol-5-ylpropanamide] (CAS 548470-13-9) is a chemical compound with molecular formula C20H20N2O6S and molecular weight 416.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-3-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]sulfanylpropanamide
Also Known As: 3,3'-Thiobis[N-1,3-benzodioxol-5-ylpropanamide], 3,3'-thiobis(N-1,3-benzodioxol-5-ylpropanamide), 3,3a(2)-Thiobis[N-1,3-benzodioxol-5-ylpropanamide], 3,3'-sulfanediylbis[N-(1,3-benzodioxol-5-yl)propanamide], 3,3'-Sulfanediylbis[N-(2H-1,3-benzodioxol-5-yl)propanamide]
| Molecular Formula | C20H20N2O6S |
|---|---|
| Molecular Weight | 416.10 g/mol |
| LogP | 3.2346 |
| Topological Polar Surface Area | 95.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.10422 |
| Heavy Atoms | 29 |
| Complexity | 846.3396 |
Chemical Identifiers
| CAS Number | 548470-13-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CCSCCC(=O)NC3=CC4=C(C=C3)OCO4 |
Product Overview
3,3'-Thiobis[N-1,3-benzodioxol-5-ylpropanamide] (CAS 548470-13-9), with molecular formula C20H20N2O6S and molecular weight 416.10 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-3-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]sulfanylpropanamide.
Chemical Property Profile of 3,3'-Thiobis[N-1,3-benzodioxol-5-ylpropanamide]
Property Insights of 3,3'-Thiobis[N-1,3-benzodioxol-5-ylpropanamide]
The XLogP value of 3.2346 indicates that 3,3'-Thiobis[N-1,3-benzodioxol-5-ylpropanamide] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-Thiobis[N-1,3-benzodioxol-5-ylpropanamide]. Following Lipinski's Rule of Five, 3,3'-Thiobis[N-1,3-benzodioxol-5-ylpropanamide] has 2 hydrogen bond donor(s) and 7 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 3,3'-Thiobis[N-1,3-benzodioxol-5-ylpropanamide]?
The CAS number of 3,3'-Thiobis[N-1,3-benzodioxol-5-ylpropanamide] is 548470-13-9.
What is the molecular formula of 3,3'-Thiobis[N-1,3-benzodioxol-5-ylpropanamide]?
The molecular formula of 3,3'-Thiobis[N-1,3-benzodioxol-5-ylpropanamide] is C20H20N2O6S.
What is the molecular weight of 3,3'-Thiobis[N-1,3-benzodioxol-5-ylpropanamide]?
The molecular weight of 3,3'-Thiobis[N-1,3-benzodioxol-5-ylpropanamide] is 416.10 g/mol.
Where can I buy 3,3'-Thiobis[N-1,3-benzodioxol-5-ylpropanamide]?
You can request a quote for 3,3'-Thiobis[N-1,3-benzodioxol-5-ylpropanamide] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Thiobis[N-1,3-benzodioxol-5-ylpropanamide]?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Thiobis[N-1,3-benzodioxol-5-ylpropanamide] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.