MixCom3_000009
TL;DR: MixCom3_000009 (CAS 422292-71-5) is a chemical compound with molecular formula C26H27N5O4S2 and molecular weight 537.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(furan-2-ylmethyl)-4-[[4-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylquinazolin-3-yl]methyl]cyclohexane-1-carboxamide
Also Known As: MixCom3_000009, ChemDiv1_028873, F3407-3969, N-[(furan-2-yl)methyl]-4-{[4-oxo-2-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-3,4-dihydroquinazolin-3-yl]methyl}cyclohexane-1-carboxamide, N-(furan-2-ylmethyl)-4-((4-oxo-2-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)quinazolin-3(4H)-yl)methyl)cyclohexanecarboxamide
| Molecular Formula | C26H27N5O4S2 |
|---|---|
| Molecular Weight | 537.15 g/mol |
| LogP | 4.2996 |
| Topological Polar Surface Area | 119.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 537.15045 |
| Heavy Atoms | 37 |
| Complexity | 1410.7786 |
Chemical Identifiers
| CAS Number | 422292-71-5 |
|---|---|
| SMILES | C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=NC=CS4)C(=O)NCC5=CC=CO5 |
Product Overview
MixCom3_000009 (CAS 422292-71-5), with molecular formula C26H27N5O4S2 and molecular weight 537.15 g/mol. IUPAC: N-(furan-2-ylmethyl)-4-[[4-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylquinazolin-3-yl]methyl]cyclohexane-1-carboxamide.
Chemical Property Profile of MixCom3_000009
Property Insights of MixCom3_000009
The XLogP value of 4.2996 indicates that MixCom3_000009 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.12 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom3_000009. Following Lipinski's Rule of Five, MixCom3_000009 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of MixCom3_000009?
The CAS number of MixCom3_000009 is 422292-71-5.
What is the molecular formula of MixCom3_000009?
The molecular formula of MixCom3_000009 is C26H27N5O4S2.
What is the molecular weight of MixCom3_000009?
The molecular weight of MixCom3_000009 is 537.15 g/mol.
Where can I buy MixCom3_000009?
You can request a quote for MixCom3_000009 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom3_000009?
Yes, KEHONG BIO provides custom synthesis services for MixCom3_000009 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.