MixCom3_000223
TL;DR: MixCom3_000223 (CAS 444184-71-8) is a chemical compound with molecular formula C27H38N4O4S and molecular weight 514.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
Also Known As: MixCom3_000223, ChemDiv1_028990, F3407-3961, 4-((2-((2-(sec-butylamino)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)methyl)-N-((tetrahydrofuran-2-yl)methyl)cyclohexanecarboxamide, 4-[[2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
| Molecular Formula | C27H38N4O4S |
|---|---|
| Molecular Weight | 514.26 g/mol |
| LogP | 3.5049 |
| Topological Polar Surface Area | 102.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 514.26135 |
| Heavy Atoms | 36 |
| Complexity | 1106.6359 |
Chemical Identifiers
| CAS Number | 444184-71-8 |
|---|---|
| SMILES | CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3CCC(CC3)C(=O)NCC4CCCO4 |
Product Overview
MixCom3_000223 (CAS 444184-71-8), with molecular formula C27H38N4O4S and molecular weight 514.26 g/mol. IUPAC: 4-[[2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide.
Chemical Property Profile of MixCom3_000223
Property Insights of MixCom3_000223
The XLogP value of 3.5049 indicates that MixCom3_000223 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.32 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom3_000223. Following Lipinski's Rule of Five, MixCom3_000223 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of MixCom3_000223?
The CAS number of MixCom3_000223 is 444184-71-8.
What is the molecular formula of MixCom3_000223?
The molecular formula of MixCom3_000223 is C27H38N4O4S.
What is the molecular weight of MixCom3_000223?
The molecular weight of MixCom3_000223 is 514.26 g/mol.
Where can I buy MixCom3_000223?
You can request a quote for MixCom3_000223 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom3_000223?
Yes, KEHONG BIO provides custom synthesis services for MixCom3_000223 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.