ChemDiv1_003040
TL;DR: ChemDiv1_003040 (CAS 442536-65-4) is a chemical compound with molecular formula C26H23N3O5S and molecular weight 489.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: ChemDiv1_003040, 4-({[(2Z)-3-(4-methoxybenzyl)-4-oxo-2-(phenylimino)-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid, (Z)-4-(3-(4-methoxybenzyl)-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamido)benzoic acid, 4-[(2Z)-3-[(4-METHOXYPHENYL)METHYL]-4-OXO-2-(PHENYLIMINO)-1,3-THIAZINANE-6-AMIDO]BENZOIC ACID, 4-[[3-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoic acid
| Molecular Formula | C26H23N3O5S |
|---|---|
| Molecular Weight | 489.14 g/mol |
| LogP | 4.5539 |
| Topological Polar Surface Area | 108.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.13583 |
| Heavy Atoms | 35 |
| Complexity | 1244.2437 |
Chemical Identifiers
| CAS Number | 442536-65-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2C(=O)CC(SC2=NC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)O |
Product Overview
ChemDiv1_003040 (CAS 442536-65-4), with molecular formula C26H23N3O5S and molecular weight 489.14 g/mol. IUPAC: 4-[[3-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of ChemDiv1_003040
Property Insights of ChemDiv1_003040
The XLogP value of 4.5539 indicates that ChemDiv1_003040 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_003040. Following Lipinski's Rule of Five, ChemDiv1_003040 has 2 hydrogen bond donor(s) and 6 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 ChemDiv1_003040?
The CAS number of ChemDiv1_003040 is 442536-65-4.
What is the molecular formula of ChemDiv1_003040?
The molecular formula of ChemDiv1_003040 is C26H23N3O5S.
What is the molecular weight of ChemDiv1_003040?
The molecular weight of ChemDiv1_003040 is 489.14 g/mol.
Where can I buy ChemDiv1_003040?
You can request a quote for ChemDiv1_003040 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003040?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.