AB00093178-01
TL;DR: AB00093178-01 (CAS 354542-84-0) is a chemical compound with molecular formula C27H33N3O2 and molecular weight 431.26 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-(2-methylpropanoyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: AB00093178-01, 6-[4-(Dimethylamino)phenyl]-9,9-dimethyl-5-(2-methylpropanoyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one, 11-[4-(dimethylamino)phenyl]-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 11-(4-(dimethylamino)phenyl)-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(2-methylpropanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C27H33N3O2 |
|---|---|
| Molecular Weight | 431.26 g/mol |
| LogP | 5.5516 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 431.25726 |
| Heavy Atoms | 32 |
| Complexity | 1080.3352 |
Chemical Identifiers
| CAS Number | 354542-84-0 |
|---|---|
| SMILES | CC(C)C(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(C=C4)N(C)C |
Product Overview
AB00093178-01 (CAS 354542-84-0), with molecular formula C27H33N3O2 and molecular weight 431.26 g/mol. IUPAC: 6-[4-(dimethylamino)phenyl]-9,9-dimethyl-5-(2-methylpropanoyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of AB00093178-01
Property Insights of AB00093178-01
The XLogP value of 5.5516 indicates that AB00093178-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, AB00093178-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00093178-01 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00093178-01?
The CAS number of AB00093178-01 is 354542-84-0.
What is the molecular formula of AB00093178-01?
The molecular formula of AB00093178-01 is C27H33N3O2.
What is the molecular weight of AB00093178-01?
The molecular weight of AB00093178-01 is 431.26 g/mol.
Where can I buy AB00093178-01?
You can request a quote for AB00093178-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00093178-01?
Yes, KEHONG BIO provides custom synthesis services for AB00093178-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.