MixCom3_000202
TL;DR: MixCom3_000202 (CAS 422292-78-2) is a chemical compound with molecular formula C30H31ClN4O4S and molecular weight 578.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
Also Known As: MixCom3_000202, ChemDiv1_028982, 4-{[2-({[(3-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-[(furan-2-yl)methyl]cyclohexane-1-carboxamide, F3407-3974, 4-((2-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)methyl)-N-(furan-2-ylmethyl)cyclohexanecarboxamide
| Molecular Formula | C30H31ClN4O4S |
|---|---|
| Molecular Weight | 578.18 g/mol |
| LogP | 5.80492 |
| Topological Polar Surface Area | 106.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 578.1755 |
| Heavy Atoms | 40 |
| Complexity | 1561.9785 |
Chemical Identifiers
| CAS Number | 422292-78-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCC(CC4)C(=O)NCC5=CC=CO5)Cl |
Product Overview
MixCom3_000202 (CAS 422292-78-2), with molecular formula C30H31ClN4O4S and molecular weight 578.18 g/mol. IUPAC: 4-[[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide.
Chemical Property Profile of MixCom3_000202
Property Insights of MixCom3_000202
The XLogP value of 5.80492 indicates that MixCom3_000202 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.23 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom3_000202. Following Lipinski's Rule of Five, MixCom3_000202 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_000202?
The CAS number of MixCom3_000202 is 422292-78-2.
What is the molecular formula of MixCom3_000202?
The molecular formula of MixCom3_000202 is C30H31ClN4O4S.
What is the molecular weight of MixCom3_000202?
The molecular weight of MixCom3_000202 is 578.18 g/mol.
Where can I buy MixCom3_000202?
You can request a quote for MixCom3_000202 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom3_000202?
Yes, KEHONG BIO provides custom synthesis services for MixCom3_000202 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.