ChemDiv1_006304
TL;DR: ChemDiv1_006304 (CAS 297159-00-3) is a chemical compound with molecular formula C30H30N2O6 and molecular weight 514.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[9-(3,4-dimethoxyphenyl)-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]-2-methoxyphenyl] acetate
Also Known As: ChemDiv1_006304, MixCom6_002446, BIM-0047595.P001, 4-[3-(3,4-dimethoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]-2-methoxyphenyl acetate, A2333/0098436
| Molecular Formula | C30H30N2O6 |
|---|---|
| Molecular Weight | 514.21 g/mol |
| LogP | 5.6172 |
| Topological Polar Surface Area | 95.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 514.2104 |
| Heavy Atoms | 38 |
| Complexity | 1429.9905 |
Chemical Identifiers
| CAS Number | 297159-00-3 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC5=CC=CC=C5N2)OC |
Product Overview
ChemDiv1_006304 (CAS 297159-00-3), with molecular formula C30H30N2O6 and molecular weight 514.21 g/mol. IUPAC: [4-[9-(3,4-dimethoxyphenyl)-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]-2-methoxyphenyl] acetate.
Chemical Property Profile of ChemDiv1_006304
Property Insights of ChemDiv1_006304
The XLogP value of 5.6172 indicates that ChemDiv1_006304 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006304. Following Lipinski's Rule of Five, ChemDiv1_006304 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_006304?
The CAS number of ChemDiv1_006304 is 297159-00-3.
What is the molecular formula of ChemDiv1_006304?
The molecular formula of ChemDiv1_006304 is C30H30N2O6.
What is the molecular weight of ChemDiv1_006304?
The molecular weight of ChemDiv1_006304 is 514.21 g/mol.
Where can I buy ChemDiv1_006304?
You can request a quote for ChemDiv1_006304 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006304?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006304 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.