BAS 00608909
TL;DR: BAS 00608909 (CAS 331837-32-2) is a chemical compound with molecular formula C24H30N2O2S2 and molecular weight 442.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzylcarbamothioylamino)spiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclohexane]-3-carboxylate
Also Known As: BAS 00608909, ethyl 2-(3-benzylthioureido)-5,7-dihydro-4H-spiro[benzo[b]thiophene-6,1'-cyclohexane]-3-carboxylate, ethyl 2-({[benzylamino]thioxomethyl}amino)spiro[4,5,6,7-tetrahydrobenzo[b]thio phene-6,1'-cyclohexane]-3-carboxylate, ethyl 2-(benzylcarbamothioylamino)spiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclohexane]-3-carboxylate, ethyl 2-[(benzylcarbamothioyl)amino]-4,7-dihydro-5H-spiro[1-benzothiophene-6,1'-cyclohexane]-3-carboxylate
| Molecular Formula | C24H30N2O2S2 |
|---|---|
| Molecular Weight | 442.17 g/mol |
| LogP | 5.8506 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.17487 |
| Heavy Atoms | 30 |
| Complexity | 901.4298 |
Chemical Identifiers
| CAS Number | 331837-32-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC3(C2)CCCCC3)NC(=S)NCC4=CC=CC=C4 |
Product Overview
BAS 00608909 (CAS 331837-32-2), with molecular formula C24H30N2O2S2 and molecular weight 442.17 g/mol. IUPAC: ethyl 2-(benzylcarbamothioylamino)spiro[5,7-dihydro-4H-1-benzothiophene-6,1'-cyclohexane]-3-carboxylate.
Chemical Property Profile of BAS 00608909
Property Insights of BAS 00608909
The XLogP value of 5.8506 indicates that BAS 00608909 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, BAS 00608909 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00608909 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 BAS 00608909?
The CAS number of BAS 00608909 is 331837-32-2.
What is the molecular formula of BAS 00608909?
The molecular formula of BAS 00608909 is C24H30N2O2S2.
What is the molecular weight of BAS 00608909?
The molecular weight of BAS 00608909 is 442.17 g/mol.
Where can I buy BAS 00608909?
You can request a quote for BAS 00608909 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00608909?
Yes, KEHONG BIO provides custom synthesis services for BAS 00608909 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.