Benzoic acid, 2-((2-(1,2,3,10a-tetrahydrospiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9),1'-cyclopent)-9-yl)ethyl)amino)-
TL;DR: Benzoic acid, 2-((2-(1,2,3,10a-tetrahydrospiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9),1'-cyclopent)-9-yl)ethyl)amino)- (CAS 133308-02-8) is a chemical compound with molecular formula C25H29N3O2 and molecular weight 403.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]-5-ylethylamino)benzoic acid
Also Known As: Benzoic acid, 2-((2-(1,2,3,10a-tetrahydrospiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9),1'-cyclopent)-9-yl)ethyl)amino)-, 2-(2-spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]-5-ylethylamino)benzoic acid, 2-[(2-{2',9'-diazaspiro[cyclopentane-1,8'-tricyclo[8.4.0.03,7]tetradecane]-1'(14'),2',10',12'-tetraen-9'-yl}ethyl)amino]benzoic acid, 2-[[2-[[1,2,3,9,10,10a-Hexahydrospiro[benzo[b]cyclopenta[e][1,4]diazepine-10,1 -cyclopentan]]-9-yl]ethyl]amino]benzoic acid, 2-{[2-(1,2,3,10a-Tetrahydro-9H-spiro[benzo[b]cyclopenta[e][1,4]diazepine-10,1'-cyclopentan]-9-yl)ethyl]amino}benzoic acid
| Molecular Formula | C25H29N3O2 |
|---|---|
| Molecular Weight | 403.23 g/mol |
| LogP | 5.5023 |
| Topological Polar Surface Area | 64.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.22598 |
| Heavy Atoms | 30 |
| Complexity | 977.86395 |
Chemical Identifiers
| CAS Number | 133308-02-8 |
|---|---|
| SMILES | C1CCC2(C1)C3CCCC3=NC4=CC=CC=C4N2CCNC5=CC=CC=C5C(=O)O |
Product Overview
Benzoic acid, 2-((2-(1,2,3,10a-tetrahydrospiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9),1'-cyclopent)-9-yl)ethyl)amino)- (CAS 133308-02-8), with molecular formula C25H29N3O2 and molecular weight 403.23 g/mol. IUPAC: 2-(2-spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]-5-ylethylamino)benzoic acid.
Chemical Property Profile of Benzoic acid, 2-((2-(1,2,3,10a-tetrahydrospiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9),1'-cyclopent)-9-yl)ethyl)amino)-
Property Insights of Benzoic acid, 2-((2-(1,2,3,10a-tetrahydrospiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9),1'-cyclopent)-9-yl)ethyl)amino)-
The XLogP value of 5.5023 indicates that Benzoic acid, 2-((2-(1,2,3,10a-tetrahydrospiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9),1'-cyclopent)-9-yl)ethyl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-((2-(1,2,3,10a-tetrahydrospiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9),1'-cyclopent)-9-yl)ethyl)amino)-. Following Lipinski's Rule of Five, Benzoic acid, 2-((2-(1,2,3,10a-tetrahydrospiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9),1'-cyclopent)-9-yl)ethyl)amino)- has 2 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 Benzoic acid, 2-((2-(1,2,3,10a-tetrahydrospiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9),1'-cyclopent)-9-yl)ethyl)amino)-?
The CAS number of Benzoic acid, 2-((2-(1,2,3,10a-tetrahydrospiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9),1'-cyclopent)-9-yl)ethyl)amino)- is 133308-02-8.
What is the molecular formula of Benzoic acid, 2-((2-(1,2,3,10a-tetrahydrospiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9),1'-cyclopent)-9-yl)ethyl)amino)-?
The molecular formula of Benzoic acid, 2-((2-(1,2,3,10a-tetrahydrospiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9),1'-cyclopent)-9-yl)ethyl)amino)- is C25H29N3O2.
What is the molecular weight of Benzoic acid, 2-((2-(1,2,3,10a-tetrahydrospiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9),1'-cyclopent)-9-yl)ethyl)amino)-?
The molecular weight of Benzoic acid, 2-((2-(1,2,3,10a-tetrahydrospiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9),1'-cyclopent)-9-yl)ethyl)amino)- is 403.23 g/mol.
Where can I buy Benzoic acid, 2-((2-(1,2,3,10a-tetrahydrospiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9),1'-cyclopent)-9-yl)ethyl)amino)-?
You can request a quote for Benzoic acid, 2-((2-(1,2,3,10a-tetrahydrospiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9),1'-cyclopent)-9-yl)ethyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-((2-(1,2,3,10a-tetrahydrospiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9),1'-cyclopent)-9-yl)ethyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((2-(1,2,3,10a-tetrahydrospiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9),1'-cyclopent)-9-yl)ethyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.