ChemDiv1_002818
TL;DR: ChemDiv1_002818 (CAS 442536-58-5) 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.
4-[[3-benzyl-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: ChemDiv1_002818, 4-[({(2Z)-3-benzyl-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid, (Z)-4-(3-benzyl-2-((4-ethoxyphenyl)imino)-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid, 4-[[3-benzyl-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid, 4-[(2Z)-3-BENZYL-2-[(4-ETHOXYPHENYL)IMINO]-4-OXO-1,3-THIAZINANE-6-AMIDO]BENZOIC ACID
| Molecular Formula | C27H25N3O5S |
|---|---|
| Molecular Weight | 503.15 g/mol |
| LogP | 4.944 |
| Topological Polar Surface Area | 108.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 503.1515 |
| Heavy Atoms | 36 |
| Complexity | 1260.8313 |
Chemical Identifiers
| CAS Number | 442536-58-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=C(C=C3)C(=O)O)CC4=CC=CC=C4 |
Product Overview
ChemDiv1_002818 (CAS 442536-58-5), with molecular formula C27H25N3O5S and molecular weight 503.15 g/mol. IUPAC: 4-[[3-benzyl-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of ChemDiv1_002818
Property Insights of ChemDiv1_002818
The XLogP value of 4.944 indicates that ChemDiv1_002818 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002818. Following Lipinski's Rule of Five, ChemDiv1_002818 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002818?
The CAS number of ChemDiv1_002818 is 442536-58-5.
What is the molecular formula of ChemDiv1_002818?
The molecular formula of ChemDiv1_002818 is C27H25N3O5S.
What is the molecular weight of ChemDiv1_002818?
The molecular weight of ChemDiv1_002818 is 503.15 g/mol.
Where can I buy ChemDiv1_002818?
You can request a quote for ChemDiv1_002818 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002818?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002818 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.