BAS 01234987
TL;DR: BAS 01234987 (CAS 438485-30-4) is a chemical compound with molecular formula C21H26N2O3S and molecular weight 386.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine
Also Known As: BAS 01234987, 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine, 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[4-(methylsulfanyl)benzyl]piperazine, 1-[(7-METHOXY-2H-1,3-BENZODIOXOL-5-YL)METHYL]-4-{[4-(METHYLSULFANYL)PHENYL]METHYL}PIPERAZINE
| Molecular Formula | C21H26N2O3S |
|---|---|
| Molecular Weight | 386.17 g/mol |
| LogP | 3.4636 |
| Topological Polar Surface Area | 34.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.1664 |
| Heavy Atoms | 27 |
| Complexity | 773.74133 |
Chemical Identifiers
| CAS Number | 438485-30-4 |
|---|---|
| SMILES | COC1=CC(=CC2=C1OCO2)CN3CCN(CC3)CC4=CC=C(C=C4)SC |
Product Overview
BAS 01234987 (CAS 438485-30-4), with molecular formula C21H26N2O3S and molecular weight 386.17 g/mol. IUPAC: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine.
Chemical Property Profile of BAS 01234987
Property Insights of BAS 01234987
The XLogP value of 3.4636 indicates that BAS 01234987 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.17 Ų, BAS 01234987 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01234987 has 0 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 BAS 01234987?
The CAS number of BAS 01234987 is 438485-30-4.
What is the molecular formula of BAS 01234987?
The molecular formula of BAS 01234987 is C21H26N2O3S.
What is the molecular weight of BAS 01234987?
The molecular weight of BAS 01234987 is 386.17 g/mol.
Where can I buy BAS 01234987?
You can request a quote for BAS 01234987 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01234987?
Yes, KEHONG BIO provides custom synthesis services for BAS 01234987 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.