ML037
TL;DR: ML037 (CAS 298686-07-4) is a chemical compound with molecular formula C29H31N3O and molecular weight 437.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-(diethylamino)phenyl]-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: ML037, 11-[4-(diethylamino)phenyl]-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, BAS 01296303, BIM-0013640.P001, 6-[4-(diethylamino)phenyl]-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C29H31N3O |
|---|---|
| Molecular Weight | 437.25 g/mol |
| LogP | 6.5123 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.2467 |
| Heavy Atoms | 33 |
| Complexity | 1162.9861 |
Chemical Identifiers
| CAS Number | 298686-07-4 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC5=CC=CC=C5N2 |
Product Overview
ML037 (CAS 298686-07-4), with molecular formula C29H31N3O and molecular weight 437.25 g/mol. IUPAC: 6-[4-(diethylamino)phenyl]-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ML037
Property Insights of ML037
The XLogP value of 6.5123 indicates that ML037 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.37 Ų, ML037 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ML037 has 2 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 ML037?
The CAS number of ML037 is 298686-07-4.
What is the molecular formula of ML037?
The molecular formula of ML037 is C29H31N3O.
What is the molecular weight of ML037?
The molecular weight of ML037 is 437.25 g/mol.
Where can I buy ML037?
You can request a quote for ML037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ML037?
Yes, KEHONG BIO provides custom synthesis services for ML037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.