ChemDiv1_002998
TL;DR: ChemDiv1_002998 (CAS 405902-36-5) is a chemical compound with molecular formula C27H27N3O4S and molecular weight 489.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide
Also Known As: ChemDiv1_002998, BAS 02226187, (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-N-phenyl-2-(phenylimino)-1,3-thiazinane-6-carboxamide, (Z)-3-(3,4-dimethoxyphenethyl)-4-oxo-N-phenyl-2-(phenylimino)-1,3-thiazinane-6-carboxamide, {3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-(phenylazamethylene)(1,3-thiazaperhy droin-6-yl)}-N-benzamide
| Molecular Formula | C27H27N3O4S |
|---|---|
| Molecular Weight | 489.17 g/mol |
| LogP | 4.9068 |
| Topological Polar Surface Area | 80.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 489.17224 |
| Heavy Atoms | 35 |
| Complexity | 1201.563 |
Chemical Identifiers
| CAS Number | 405902-36-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C(=O)CC(SC2=NC3=CC=CC=C3)C(=O)NC4=CC=CC=C4)OC |
Product Overview
ChemDiv1_002998 (CAS 405902-36-5), with molecular formula C27H27N3O4S and molecular weight 489.17 g/mol. IUPAC: 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of ChemDiv1_002998
Property Insights of ChemDiv1_002998
The XLogP value of 4.9068 indicates that ChemDiv1_002998 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.23 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002998. Following Lipinski's Rule of Five, ChemDiv1_002998 has 1 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_002998?
The CAS number of ChemDiv1_002998 is 405902-36-5.
What is the molecular formula of ChemDiv1_002998?
The molecular formula of ChemDiv1_002998 is C27H27N3O4S.
What is the molecular weight of ChemDiv1_002998?
The molecular weight of ChemDiv1_002998 is 489.17 g/mol.
Where can I buy ChemDiv1_002998?
You can request a quote for ChemDiv1_002998 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002998?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002998 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.