MixCom6_002577
TL;DR: MixCom6_002577 (CAS 297159-06-9) is a chemical compound with molecular formula C27H24F2N2O3 and molecular weight 462.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,4-difluorophenyl)-9-(3,4-dimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: MixCom6_002577, BAS 04377728, BIM-0047573.P001, 11-(3,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, A2333/0098438
| Molecular Formula | C27H24F2N2O3 |
|---|---|
| Molecular Weight | 462.18 g/mol |
| LogP | 5.9615 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.1755 |
| Heavy Atoms | 34 |
| Complexity | 1304.7827 |
Chemical Identifiers
| CAS Number | 297159-06-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C=C5)F)F)C(=O)C2)OC |
Product Overview
MixCom6_002577 (CAS 297159-06-9), with molecular formula C27H24F2N2O3 and molecular weight 462.18 g/mol. IUPAC: 6-(3,4-difluorophenyl)-9-(3,4-dimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of MixCom6_002577
Property Insights of MixCom6_002577
The XLogP value of 5.9615 indicates that MixCom6_002577 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, MixCom6_002577 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, MixCom6_002577 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of MixCom6_002577?
The CAS number of MixCom6_002577 is 297159-06-9.
What is the molecular formula of MixCom6_002577?
The molecular formula of MixCom6_002577 is C27H24F2N2O3.
What is the molecular weight of MixCom6_002577?
The molecular weight of MixCom6_002577 is 462.18 g/mol.
Where can I buy MixCom6_002577?
You can request a quote for MixCom6_002577 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_002577?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_002577 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.