ChemDiv1_008809
TL;DR: ChemDiv1_008809 (CAS 314261-45-5) is a chemical compound with molecular formula C24H23N3O6S2 and molecular weight 513.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate
Also Known As: ChemDiv1_008809, UPCMLD0ENAT0513-7595:001, 1,3-dimethyl 5-(2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}acetamido)benzene-1,3-dicarboxylate, AF-399/15031080, F0863-0341
| Molecular Formula | C24H23N3O6S2 |
|---|---|
| Molecular Weight | 513.10 g/mol |
| LogP | 3.4367 |
| Topological Polar Surface Area | 116.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 513.10284 |
| Heavy Atoms | 35 |
| Complexity | 1374.2358 |
Chemical Identifiers
| CAS Number | 314261-45-5 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CC=C)C(=O)OC |
Product Overview
ChemDiv1_008809 (CAS 314261-45-5), with molecular formula C24H23N3O6S2 and molecular weight 513.10 g/mol. IUPAC: dimethyl 5-[[2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of ChemDiv1_008809
Property Insights of ChemDiv1_008809
The XLogP value of 3.4367 indicates that ChemDiv1_008809 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.59 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008809. Following Lipinski's Rule of Five, ChemDiv1_008809 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_008809?
The CAS number of ChemDiv1_008809 is 314261-45-5.
What is the molecular formula of ChemDiv1_008809?
The molecular formula of ChemDiv1_008809 is C24H23N3O6S2.
What is the molecular weight of ChemDiv1_008809?
The molecular weight of ChemDiv1_008809 is 513.10 g/mol.
Where can I buy ChemDiv1_008809?
You can request a quote for ChemDiv1_008809 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008809?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008809 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.