ChemDiv1_002870
TL;DR: ChemDiv1_002870 (CAS 384349-64-8) is a chemical compound with molecular formula C26H20FN3O6S and molecular weight 521.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: ChemDiv1_002870, (Z)-4-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((4-fluorophenyl)imino)-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid, 4-[({(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid, 4-[[3-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
| Molecular Formula | C26H20FN3O6S |
|---|---|
| Molecular Weight | 521.11 g/mol |
| LogP | 4.4131 |
| Topological Polar Surface Area | 117.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 521.1057 |
| Heavy Atoms | 37 |
| Complexity | 1394.4259 |
Chemical Identifiers
| CAS Number | 384349-64-8 |
|---|---|
| SMILES | C1C(SC(=NC2=CC=C(C=C2)F)N(C1=O)CC3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=C(C=C5)C(=O)O |
Product Overview
ChemDiv1_002870 (CAS 384349-64-8), with molecular formula C26H20FN3O6S and molecular weight 521.11 g/mol. IUPAC: 4-[[3-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of ChemDiv1_002870
Property Insights of ChemDiv1_002870
The XLogP value of 4.4131 indicates that ChemDiv1_002870 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.53 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002870. Following Lipinski's Rule of Five, ChemDiv1_002870 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 ChemDiv1_002870?
The CAS number of ChemDiv1_002870 is 384349-64-8.
What is the molecular formula of ChemDiv1_002870?
The molecular formula of ChemDiv1_002870 is C26H20FN3O6S.
What is the molecular weight of ChemDiv1_002870?
The molecular weight of ChemDiv1_002870 is 521.11 g/mol.
Where can I buy ChemDiv1_002870?
You can request a quote for ChemDiv1_002870 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002870?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002870 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.