ChemDiv1_005614
TL;DR: ChemDiv1_005614 (CAS 355402-37-8) is a chemical compound with molecular formula C29H29N3O5 and molecular weight 499.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(furan-2-yl)-5-hexanoyl-9-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_005614, 6-(furan-2-yl)-5-hexanoyl-9-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one, 11-(furan-2-yl)-10-hexanoyl-3-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 11-(2-furyl)-10-hexanoyl-3-{3-nitrophenyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 1-[11-(furan-2-yl)-1-hydroxy-3-(3-nitrophenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one
| Molecular Formula | C29H29N3O5 |
|---|---|
| Molecular Weight | 499.21 g/mol |
| LogP | 6.6687 |
| Topological Polar Surface Area | 105.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.21072 |
| Heavy Atoms | 37 |
| Complexity | 1361.3763 |
Chemical Identifiers
| CAS Number | 355402-37-8 |
|---|---|
| SMILES | CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC(=CC=C3)[N+](=O)[O-])NC4=CC=CC=C41)C5=CC=CO5 |
Product Overview
ChemDiv1_005614 (CAS 355402-37-8), with molecular formula C29H29N3O5 and molecular weight 499.21 g/mol. IUPAC: 6-(furan-2-yl)-5-hexanoyl-9-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_005614
Property Insights of ChemDiv1_005614
The XLogP value of 6.6687 indicates that ChemDiv1_005614 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.69 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005614. Following Lipinski's Rule of Five, ChemDiv1_005614 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_005614?
The CAS number of ChemDiv1_005614 is 355402-37-8.
What is the molecular formula of ChemDiv1_005614?
The molecular formula of ChemDiv1_005614 is C29H29N3O5.
What is the molecular weight of ChemDiv1_005614?
The molecular weight of ChemDiv1_005614 is 499.21 g/mol.
Where can I buy ChemDiv1_005614?
You can request a quote for ChemDiv1_005614 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005614?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005614 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.