ChemDiv1_003090
TL;DR: ChemDiv1_003090 (CAS 442536-82-5) is a chemical compound with molecular formula C27H25N3O5S and molecular weight 503.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)imino-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
Also Known As: ChemDiv1_003090, (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethoxyphenyl)imino]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide, (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((4-ethoxyphenyl)imino)-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide, (2Z)-3-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-[(4-ETHOXYPHENYL)IMINO]-4-OXO-N-PHENYL-1,3-THIAZINANE-6-CARBOXAMIDE, 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)imino-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
| Molecular Formula | C27H25N3O5S |
|---|---|
| Molecular Weight | 503.15 g/mol |
| LogP | 4.9745 |
| Topological Polar Surface Area | 89.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.1515 |
| Heavy Atoms | 36 |
| Complexity | 1280.3264 |
Chemical Identifiers
| CAS Number | 442536-82-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5 |
Product Overview
ChemDiv1_003090 (CAS 442536-82-5), with molecular formula C27H25N3O5S and molecular weight 503.15 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)imino-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of ChemDiv1_003090
Property Insights of ChemDiv1_003090
The XLogP value of 4.9745 indicates that ChemDiv1_003090 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003090. Following Lipinski's Rule of Five, ChemDiv1_003090 has 1 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_003090?
The CAS number of ChemDiv1_003090 is 442536-82-5.
What is the molecular formula of ChemDiv1_003090?
The molecular formula of ChemDiv1_003090 is C27H25N3O5S.
What is the molecular weight of ChemDiv1_003090?
The molecular weight of ChemDiv1_003090 is 503.15 g/mol.
Where can I buy ChemDiv1_003090?
You can request a quote for ChemDiv1_003090 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003090?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003090 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.