ChemDiv1_002954
TL;DR: ChemDiv1_002954 (CAS 384796-46-7) is a chemical compound with molecular formula C28H29N3O5S and molecular weight 519.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxyphenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
Also Known As: ChemDiv1_002954, (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxyphenyl)-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide, (Z)-3-(3,4-dimethoxyphenethyl)-N-(4-methoxyphenyl)-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide, 3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxyphenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
| Molecular Formula | C28H29N3O5S |
|---|---|
| Molecular Weight | 519.18 g/mol |
| LogP | 4.9154 |
| Topological Polar Surface Area | 89.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 519.1828 |
| Heavy Atoms | 37 |
| Complexity | 1264.5691 |
Chemical Identifiers
| CAS Number | 384796-46-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=CC=C3)S2)CCC4=CC(=C(C=C4)OC)OC |
Product Overview
ChemDiv1_002954 (CAS 384796-46-7), with molecular formula C28H29N3O5S and molecular weight 519.18 g/mol. IUPAC: 3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxyphenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of ChemDiv1_002954
Property Insights of ChemDiv1_002954
The XLogP value of 4.9154 indicates that ChemDiv1_002954 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_002954. Following Lipinski's Rule of Five, ChemDiv1_002954 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_002954?
The CAS number of ChemDiv1_002954 is 384796-46-7.
What is the molecular formula of ChemDiv1_002954?
The molecular formula of ChemDiv1_002954 is C28H29N3O5S.
What is the molecular weight of ChemDiv1_002954?
The molecular weight of ChemDiv1_002954 is 519.18 g/mol.
Where can I buy ChemDiv1_002954?
You can request a quote for ChemDiv1_002954 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002954?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002954 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.