BRD-K43121162-001-12-7
TL;DR: BRD-K43121162-001-12-7 (CAS 119681-83-3) is a chemical compound with molecular formula C24H32N2O4 and molecular weight 412.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S)-10-(diethylamino)-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
Also Known As: BRD-K43121162-001-12-7, (7S)-10-(diethylamino)-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one, (7S)-10-(diethylamino)-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one, (S)-10-(diethylamino)-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
| Molecular Formula | C24H32N2O4 |
|---|---|
| Molecular Weight | 412.24 g/mol |
| LogP | 3.7925 |
| Topological Polar Surface Area | 60.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.2362 |
| Heavy Atoms | 30 |
| Complexity | 970.231 |
Chemical Identifiers
| CAS Number | 119681-83-3 |
|---|---|
| SMILES | CCN(CC)C1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC |
Product Overview
BRD-K43121162-001-12-7 (CAS 119681-83-3), with molecular formula C24H32N2O4 and molecular weight 412.24 g/mol. IUPAC: (7S)-10-(diethylamino)-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one.
Chemical Property Profile of BRD-K43121162-001-12-7
Property Insights of BRD-K43121162-001-12-7
The XLogP value of 3.7925 indicates that BRD-K43121162-001-12-7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.03 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-K43121162-001-12-7. Following Lipinski's Rule of Five, BRD-K43121162-001-12-7 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BRD-K43121162-001-12-7?
The CAS number of BRD-K43121162-001-12-7 is 119681-83-3.
What is the molecular formula of BRD-K43121162-001-12-7?
The molecular formula of BRD-K43121162-001-12-7 is C24H32N2O4.
What is the molecular weight of BRD-K43121162-001-12-7?
The molecular weight of BRD-K43121162-001-12-7 is 412.24 g/mol.
Where can I buy BRD-K43121162-001-12-7?
You can request a quote for BRD-K43121162-001-12-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K43121162-001-12-7?
Yes, KEHONG BIO provides custom synthesis services for BRD-K43121162-001-12-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.