MixCom6_002582
TL;DR: MixCom6_002582 (CAS 6239-44-7) is a chemical compound with molecular formula C27H26N2O3 and molecular weight 426.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(furan-2-yl)-5-(2-methylpropanoyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: MixCom6_002582, BIM-0047638.P001, 6-(furan-2-yl)-5-(2-methylpropanoyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one, 11-(2-furyl)-10-isobutyryl-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 11-(Furan-2-yl)-10-(2-methylpropanoyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C27H26N2O3 |
|---|---|
| Molecular Weight | 426.19 g/mol |
| LogP | 5.8362 |
| Topological Polar Surface Area | 62.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.19434 |
| Heavy Atoms | 32 |
| Complexity | 1178.6301 |
Chemical Identifiers
| CAS Number | 6239-44-7 |
|---|---|
| SMILES | CC(C)C(=O)N1C(C2=C(CC(CC2=O)C3=CC=CC=C3)NC4=CC=CC=C41)C5=CC=CO5 |
Product Overview
MixCom6_002582 (CAS 6239-44-7), with molecular formula C27H26N2O3 and molecular weight 426.19 g/mol. IUPAC: 6-(furan-2-yl)-5-(2-methylpropanoyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of MixCom6_002582
Property Insights of MixCom6_002582
The XLogP value of 5.8362 indicates that MixCom6_002582 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.55 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_002582. Following Lipinski's Rule of Five, MixCom6_002582 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of MixCom6_002582?
The CAS number of MixCom6_002582 is 6239-44-7.
What is the molecular formula of MixCom6_002582?
The molecular formula of MixCom6_002582 is C27H26N2O3.
What is the molecular weight of MixCom6_002582?
The molecular weight of MixCom6_002582 is 426.19 g/mol.
Where can I buy MixCom6_002582?
You can request a quote for MixCom6_002582 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_002582?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_002582 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.