ChemDiv1_008102
TL;DR: ChemDiv1_008102 (CAS 385374-02-7) is a chemical compound with molecular formula C33H37N3O5 and molecular weight 555.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-(dimethylamino)phenyl]-9,9-dimethyl-5-(3,4,5-trimethoxybenzoyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_008102, DivK1c_002742, CDS1_001702, AF-399/40772868, 11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C33H37N3O5 |
|---|---|
| Molecular Weight | 555.27 g/mol |
| LogP | 6.2352 |
| Topological Polar Surface Area | 80.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 555.2733 |
| Heavy Atoms | 41 |
| Complexity | 1499.0681 |
Chemical Identifiers
| CAS Number | 385374-02-7 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C4=CC(=C(C(=C4)OC)OC)OC)C5=CC=C(C=C5)N(C)C)C(=O)C1)C |
Product Overview
ChemDiv1_008102 (CAS 385374-02-7), with molecular formula C33H37N3O5 and molecular weight 555.27 g/mol. IUPAC: 6-[4-(dimethylamino)phenyl]-9,9-dimethyl-5-(3,4,5-trimethoxybenzoyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_008102
Property Insights of ChemDiv1_008102
The XLogP value of 6.2352 indicates that ChemDiv1_008102 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.34 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008102. Following Lipinski's Rule of Five, ChemDiv1_008102 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_008102?
The CAS number of ChemDiv1_008102 is 385374-02-7.
What is the molecular formula of ChemDiv1_008102?
The molecular formula of ChemDiv1_008102 is C33H37N3O5.
What is the molecular weight of ChemDiv1_008102?
The molecular weight of ChemDiv1_008102 is 555.27 g/mol.
Where can I buy ChemDiv1_008102?
You can request a quote for ChemDiv1_008102 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008102?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008102 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.