BAS 00899422
TL;DR: BAS 00899422 (CAS 328089-09-4) is a chemical compound with molecular formula C25H30N2O2S and molecular weight 422.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00899422, BRD-K21234791-001-01-6, A1977/0083203, (E)-ethyl 2-((2',4'-dihydro-1'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-ylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ETHYL 2-({2',4'-DIHYDRO-1'H-SPIRO[CYCLOHEXANE-1,3'-ISOQUINOLIN]-1'-YLIDENE}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C25H30N2O2S |
|---|---|
| Molecular Weight | 422.20 g/mol |
| LogP | 5.9213 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.2028 |
| Heavy Atoms | 30 |
| Complexity | 985.02997 |
Chemical Identifiers
| CAS Number | 328089-09-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC3=NC4(CCCCC4)CC5=CC=CC=C53 |
Product Overview
BAS 00899422 (CAS 328089-09-4), with molecular formula C25H30N2O2S and molecular weight 422.20 g/mol. IUPAC: ethyl 2-(spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00899422
Property Insights of BAS 00899422
The XLogP value of 5.9213 indicates that BAS 00899422 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.69 Ų, BAS 00899422 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00899422 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00899422?
The CAS number of BAS 00899422 is 328089-09-4.
What is the molecular formula of BAS 00899422?
The molecular formula of BAS 00899422 is C25H30N2O2S.
What is the molecular weight of BAS 00899422?
The molecular weight of BAS 00899422 is 422.20 g/mol.
Where can I buy BAS 00899422?
You can request a quote for BAS 00899422 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00899422?
Yes, KEHONG BIO provides custom synthesis services for BAS 00899422 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.