F0617-0414
TL;DR: F0617-0414 (CAS 851715-47-4) is a chemical compound with molecular formula C29H29N3O6S and molecular weight 547.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3,4-dimethoxybenzamide
Also Known As: F0617-0414, N-(2-{3-[({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)-3,4-dimethoxybenzamide, N-(2-(3-((2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-3,4-dimethoxybenzamide, N-[2-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3,4-dimethoxybenzamide
| Molecular Formula | C29H29N3O6S |
|---|---|
| Molecular Weight | 547.18 g/mol |
| LogP | 4.2257 |
| Topological Polar Surface Area | 100.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 547.17773 |
| Heavy Atoms | 39 |
| Complexity | 1501.912 |
Chemical Identifiers
| CAS Number | 851715-47-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NCC4=CC5=C(C=C4)OCO5)OC |
Product Overview
F0617-0414 (CAS 851715-47-4), with molecular formula C29H29N3O6S and molecular weight 547.18 g/mol. IUPAC: N-[2-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3,4-dimethoxybenzamide.
Chemical Property Profile of F0617-0414
Property Insights of F0617-0414
The XLogP value of 4.2257 indicates that F0617-0414 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.05 Ų falls within the moderate polarity range, balancing permeability and solubility for F0617-0414. Following Lipinski's Rule of Five, F0617-0414 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0617-0414?
The CAS number of F0617-0414 is 851715-47-4.
What is the molecular formula of F0617-0414?
The molecular formula of F0617-0414 is C29H29N3O6S.
What is the molecular weight of F0617-0414?
The molecular weight of F0617-0414 is 547.18 g/mol.
Where can I buy F0617-0414?
You can request a quote for F0617-0414 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0617-0414?
Yes, KEHONG BIO provides custom synthesis services for F0617-0414 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.