CBKinase1_001042
TL;DR: CBKinase1_001042 (CAS 352701-79-2) is a chemical compound with molecular formula C33H29N3O5 and molecular weight 547.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,9-dimethyl-6-[5-(2-nitrophenyl)furan-2-yl]-5-(2-phenylacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: CBKinase1_001042, CBKinase1_013442, 11-(5-{2-nitrophenyl}-2-furyl)-3,3-dimethyl-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, BRD-A69628404-001-01-3, 9,9-dimethyl-6-[5-(2-nitrophenyl)furan-2-yl]-5-(2-phenylacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C33H29N3O5 |
|---|---|
| Molecular Weight | 547.21 g/mol |
| LogP | 7.2405 |
| Topological Polar Surface Area | 105.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 547.2107 |
| Heavy Atoms | 41 |
| Complexity | 1702.5481 |
Chemical Identifiers
| CAS Number | 352701-79-2 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)CC4=CC=CC=C4)C5=CC=C(O5)C6=CC=CC=C6[N+](=O)[O-])C(=O)C1)C |
Product Overview
CBKinase1_001042 (CAS 352701-79-2), with molecular formula C33H29N3O5 and molecular weight 547.21 g/mol. IUPAC: 9,9-dimethyl-6-[5-(2-nitrophenyl)furan-2-yl]-5-(2-phenylacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of CBKinase1_001042
Property Insights of CBKinase1_001042
The XLogP value of 7.2405 indicates that CBKinase1_001042 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 CBKinase1_001042. Following Lipinski's Rule of Five, CBKinase1_001042 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 CBKinase1_001042?
The CAS number of CBKinase1_001042 is 352701-79-2.
What is the molecular formula of CBKinase1_001042?
The molecular formula of CBKinase1_001042 is C33H29N3O5.
What is the molecular weight of CBKinase1_001042?
The molecular weight of CBKinase1_001042 is 547.21 g/mol.
Where can I buy CBKinase1_001042?
You can request a quote for CBKinase1_001042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001042?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.