AB00098211-01
TL;DR: AB00098211-01 (CAS 354546-36-4) is a chemical compound with molecular formula C22H24N2O2S and molecular weight 380.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,9-dimethyl-5-propanoyl-6-thiophen-2-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: AB00098211-01, 9,9-dimethyl-5-propanoyl-6-thiophen-2-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one, 3,3-dimethyl-10-propionyl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 3,3-dimethyl-10-propionyl-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 1-[1-hydroxy-3,3-dimethyl-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]propan-1-one
| Molecular Formula | C22H24N2O2S |
|---|---|
| Molecular Weight | 380.16 g/mol |
| LogP | 5.3011 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 380.15585 |
| Heavy Atoms | 27 |
| Complexity | 927.54926 |
Chemical Identifiers
| CAS Number | 354546-36-4 |
|---|---|
| SMILES | CCC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=CS4 |
Product Overview
AB00098211-01 (CAS 354546-36-4), with molecular formula C22H24N2O2S and molecular weight 380.16 g/mol. IUPAC: 9,9-dimethyl-5-propanoyl-6-thiophen-2-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of AB00098211-01
Property Insights of AB00098211-01
The XLogP value of 5.3011 indicates that AB00098211-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, AB00098211-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00098211-01 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 AB00098211-01?
The CAS number of AB00098211-01 is 354546-36-4.
What is the molecular formula of AB00098211-01?
The molecular formula of AB00098211-01 is C22H24N2O2S.
What is the molecular weight of AB00098211-01?
The molecular weight of AB00098211-01 is 380.16 g/mol.
Where can I buy AB00098211-01?
You can request a quote for AB00098211-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00098211-01?
Yes, KEHONG BIO provides custom synthesis services for AB00098211-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.