MixCom6_002463
TL;DR: MixCom6_002463 (CAS 347350-74-7) is a chemical compound with molecular formula C27H24N2O3 and molecular weight 424.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(7-oxo-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl)benzoate
Also Known As: MixCom6_002463, BAS 04377759, BIM-0047578.P001, methyl 4-(1-oxo-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate, A2333/0098443
| Molecular Formula | C27H24N2O3 |
|---|---|
| Molecular Weight | 424.18 g/mol |
| LogP | 5.4527 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.17868 |
| Heavy Atoms | 32 |
| Complexity | 1199.0858 |
Chemical Identifiers
| CAS Number | 347350-74-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC5=CC=CC=C5N2 |
Product Overview
MixCom6_002463 (CAS 347350-74-7), with molecular formula C27H24N2O3 and molecular weight 424.18 g/mol. IUPAC: methyl 4-(7-oxo-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl)benzoate.
Chemical Property Profile of MixCom6_002463
Property Insights of MixCom6_002463
The XLogP value of 5.4527 indicates that MixCom6_002463 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_002463. Following Lipinski's Rule of Five, MixCom6_002463 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_002463?
The CAS number of MixCom6_002463 is 347350-74-7.
What is the molecular formula of MixCom6_002463?
The molecular formula of MixCom6_002463 is C27H24N2O3.
What is the molecular weight of MixCom6_002463?
The molecular weight of MixCom6_002463 is 424.18 g/mol.
Where can I buy MixCom6_002463?
You can request a quote for MixCom6_002463 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_002463?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_002463 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.