MixCom6_002542
TL;DR: MixCom6_002542 (CAS 6239-43-6) is a chemical compound with molecular formula C27H25N3O2 and molecular weight 423.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-phenyl-5-propanoyl-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: MixCom6_002542, BIM-0047637.P001, 3-phenyl-10-propanoyl-11-(pyridin-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 14-phenyl-9-propanoyl-10-(pyridin-3-yl)-2,9-diazatricyclo[9.4.0.0(3),?]pentadeca-1(11),3(8),4,6-tetraen-12-one, 14-phenyl-9-propanoyl-10-(pyridin-3-yl)-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one
| Molecular Formula | C27H25N3O2 |
|---|---|
| Molecular Weight | 423.19 g/mol |
| LogP | 5.3922 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.19467 |
| Heavy Atoms | 32 |
| Complexity | 1187.793 |
Chemical Identifiers
| CAS Number | 6239-43-6 |
|---|---|
| SMILES | CCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=CC=C3)NC4=CC=CC=C41)C5=CN=CC=C5 |
Product Overview
MixCom6_002542 (CAS 6239-43-6), with molecular formula C27H25N3O2 and molecular weight 423.19 g/mol. IUPAC: 9-phenyl-5-propanoyl-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of MixCom6_002542
Property Insights of MixCom6_002542
The XLogP value of 5.3922 indicates that MixCom6_002542 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_002542. Following Lipinski's Rule of Five, MixCom6_002542 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_002542?
The CAS number of MixCom6_002542 is 6239-43-6.
What is the molecular formula of MixCom6_002542?
The molecular formula of MixCom6_002542 is C27H25N3O2.
What is the molecular weight of MixCom6_002542?
The molecular weight of MixCom6_002542 is 423.19 g/mol.
Where can I buy MixCom6_002542?
You can request a quote for MixCom6_002542 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_002542?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_002542 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.