A1815/0076734
TL;DR: A1815/0076734 (CAS 312290-85-0) is a chemical compound with molecular formula C30H35N3O3S2 and molecular weight 549.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-amino-4-(5-tert-butylthiophen-2-yl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: A1815/0076734, ethyl 2-[2-amino-4-(5-tert-butylthiophen-2-yl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[2-amino-4-[5-(tert-butyl)-2-thienyl]-3-cyano-5-oxo-5,6,7,8-tetrahydro-1(4H)-quinolinyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-(2-amino-4-(5-(tert-butyl)thiophen-2-yl)-3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ETHYL 2-[2-AMINO-4-(5-TERT-BUTYLTHIOPHEN-2-YL)-3-CYANO-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLIN-1-YL]-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C30H35N3O3S2 |
|---|---|
| Molecular Weight | 549.21 g/mol |
| LogP | 6.85748 |
| Topological Polar Surface Area | 96.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 549.212 |
| Heavy Atoms | 38 |
| Complexity | 1396.5442 |
Chemical Identifiers
| CAS Number | 312290-85-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)N3C4=C(C(C(=C3N)C#N)C5=CC=C(S5)C(C)(C)C)C(=O)CCC4 |
Product Overview
A1815/0076734 (CAS 312290-85-0), with molecular formula C30H35N3O3S2 and molecular weight 549.21 g/mol. IUPAC: ethyl 2-[2-amino-4-(5-tert-butylthiophen-2-yl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of A1815/0076734
Property Insights of A1815/0076734
The XLogP value of 6.85748 indicates that A1815/0076734 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.42 Ų falls within the moderate polarity range, balancing permeability and solubility for A1815/0076734. Following Lipinski's Rule of Five, A1815/0076734 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1815/0076734?
The CAS number of A1815/0076734 is 312290-85-0.
What is the molecular formula of A1815/0076734?
The molecular formula of A1815/0076734 is C30H35N3O3S2.
What is the molecular weight of A1815/0076734?
The molecular weight of A1815/0076734 is 549.21 g/mol.
Where can I buy A1815/0076734?
You can request a quote for A1815/0076734 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1815/0076734?
Yes, KEHONG BIO provides custom synthesis services for A1815/0076734 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.