ChemDiv1_002950
TL;DR: ChemDiv1_002950 (CAS 401923-44-2) 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.
methyl 4-[[3-benzyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
Also Known As: ChemDiv1_002950, methyl 4-[({(2Z)-3-benzyl-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoate, (Z)-methyl 4-(3-benzyl-2-((4-methoxyphenyl)imino)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate, METHYL 4-[(2Z)-3-BENZYL-2-[(4-METHOXYPHENYL)IMINO]-4-OXO-1,3-THIAZINANE-6-AMIDO]BENZOATE, methyl 4-[[3-benzyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
| Molecular Formula | C27H25N3O5S |
|---|---|
| Molecular Weight | 503.15 g/mol |
| LogP | 4.6423 |
| Topological Polar Surface Area | 97.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.1515 |
| Heavy Atoms | 36 |
| Complexity | 1260.8313 |
Chemical Identifiers
| CAS Number | 401923-44-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=C(C=C3)C(=O)OC)CC4=CC=CC=C4 |
Product Overview
ChemDiv1_002950 (CAS 401923-44-2), with molecular formula C27H25N3O5S and molecular weight 503.15 g/mol. IUPAC: methyl 4-[[3-benzyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate.
Chemical Property Profile of ChemDiv1_002950
Property Insights of ChemDiv1_002950
The XLogP value of 4.6423 indicates that ChemDiv1_002950 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002950. Following Lipinski's Rule of Five, ChemDiv1_002950 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_002950?
The CAS number of ChemDiv1_002950 is 401923-44-2.
What is the molecular formula of ChemDiv1_002950?
The molecular formula of ChemDiv1_002950 is C27H25N3O5S.
What is the molecular weight of ChemDiv1_002950?
The molecular weight of ChemDiv1_002950 is 503.15 g/mol.
Where can I buy ChemDiv1_002950?
You can request a quote for ChemDiv1_002950 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002950?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002950 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.