1-Piperazinecarboxylic acid, 4-(4H-thieno(3,4-b)(1,5)benzodiazepin-10-yl)-, ethyl ester
TL;DR: 1-Piperazinecarboxylic acid, 4-(4H-thieno(3,4-b)(1,5)benzodiazepin-10-yl)-, ethyl ester (CAS 61325-95-9) is a chemical compound with molecular formula C18H20N4O2S and molecular weight 356.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(10H-thieno[3,4-b][1,5]benzodiazepin-4-yl)piperazine-1-carboxylate
Also Known As: 1-Piperazinecarboxylic acid, 4-(4H-thieno(3,4-b)(1,5)benzodiazepin-10-yl)-, ethyl ester, 4-(4H-Thieno(3,4-b)(1,5)benzodiazepin-10-yl)-1-piperazinecarboxylic acid ethyl ester, ethyl 4-(10H-thieno[3,4-b][1,5]benzodiazepin-4-yl)piperazine-1-carboxylate, Ethyl 4-(4H-thieno[3,4-b][1,5]benzodiazepin-10-yl)piperazine-1-carboxylate, BRN 1044076
| Molecular Formula | C18H20N4O2S |
|---|---|
| Molecular Weight | 356.13 g/mol |
| LogP | 3.6575 |
| Topological Polar Surface Area | 57.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 356.1307 |
| Heavy Atoms | 25 |
| Complexity | 808.91235 |
Chemical Identifiers
| CAS Number | 61325-95-9 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3NC4=CSC=C42 |
Product Overview
1-Piperazinecarboxylic acid, 4-(4H-thieno(3,4-b)(1,5)benzodiazepin-10-yl)-, ethyl ester (CAS 61325-95-9), with molecular formula C18H20N4O2S and molecular weight 356.13 g/mol. IUPAC: ethyl 4-(10H-thieno[3,4-b][1,5]benzodiazepin-4-yl)piperazine-1-carboxylate.
Chemical Property Profile of 1-Piperazinecarboxylic acid, 4-(4H-thieno(3,4-b)(1,5)benzodiazepin-10-yl)-, ethyl ester
Property Insights of 1-Piperazinecarboxylic acid, 4-(4H-thieno(3,4-b)(1,5)benzodiazepin-10-yl)-, ethyl ester
The XLogP value of 3.6575 indicates that 1-Piperazinecarboxylic acid, 4-(4H-thieno(3,4-b)(1,5)benzodiazepin-10-yl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.17 Ų, 1-Piperazinecarboxylic acid, 4-(4H-thieno(3,4-b)(1,5)benzodiazepin-10-yl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazinecarboxylic acid, 4-(4H-thieno(3,4-b)(1,5)benzodiazepin-10-yl)-, ethyl ester 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 1-Piperazinecarboxylic acid, 4-(4H-thieno(3,4-b)(1,5)benzodiazepin-10-yl)-, ethyl ester?
The CAS number of 1-Piperazinecarboxylic acid, 4-(4H-thieno(3,4-b)(1,5)benzodiazepin-10-yl)-, ethyl ester is 61325-95-9.
What is the molecular formula of 1-Piperazinecarboxylic acid, 4-(4H-thieno(3,4-b)(1,5)benzodiazepin-10-yl)-, ethyl ester?
The molecular formula of 1-Piperazinecarboxylic acid, 4-(4H-thieno(3,4-b)(1,5)benzodiazepin-10-yl)-, ethyl ester is C18H20N4O2S.
What is the molecular weight of 1-Piperazinecarboxylic acid, 4-(4H-thieno(3,4-b)(1,5)benzodiazepin-10-yl)-, ethyl ester?
The molecular weight of 1-Piperazinecarboxylic acid, 4-(4H-thieno(3,4-b)(1,5)benzodiazepin-10-yl)-, ethyl ester is 356.13 g/mol.
Where can I buy 1-Piperazinecarboxylic acid, 4-(4H-thieno(3,4-b)(1,5)benzodiazepin-10-yl)-, ethyl ester?
You can request a quote for 1-Piperazinecarboxylic acid, 4-(4H-thieno(3,4-b)(1,5)benzodiazepin-10-yl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazinecarboxylic acid, 4-(4H-thieno(3,4-b)(1,5)benzodiazepin-10-yl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinecarboxylic acid, 4-(4H-thieno(3,4-b)(1,5)benzodiazepin-10-yl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.