RefChem:234505
TL;DR: RefChem:234505 (CAS 153804-38-7) is a chemical compound with molecular formula C19H29NO6S and molecular weight 399.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)-2-methoxypropyl]-2-methylpropan-2-amine;oxalic acid
Also Known As: 8-((3-tert-Butylamino-2-methoxypropyl)oxy)thiochroman oxalate, 1-Propanamine, 3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-N-(1,1-dimethylethyl)-2-methoxy-,ethanedioate (1:1), N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)-2-methoxypropyl]-2-methylpropan-2-amine; oxalic acid, Oxalic acid--N-tert-butyl-3-[(3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy]-2-methoxypropan-1-amine (1/1), RefChem:234505
| Molecular Formula | C19H29NO6S |
|---|---|
| Molecular Weight | 399.17 g/mol |
| LogP | 2.6624 |
| Topological Polar Surface Area | 105.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.17157 |
| Heavy Atoms | 27 |
| Complexity | 617.11615 |
Chemical Identifiers
| CAS Number | 153804-38-7 |
|---|---|
| SMILES | CC(C)(C)NCC(COC1=CC=CC2=C1SCCC2)OC.C(=O)(C(=O)O)O |
Product Overview
RefChem:234505 (CAS 153804-38-7), with molecular formula C19H29NO6S and molecular weight 399.17 g/mol. IUPAC: N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)-2-methoxypropyl]-2-methylpropan-2-amine;oxalic acid.
Chemical Property Profile of RefChem:234505
Property Insights of RefChem:234505
The XLogP value of 2.6624 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:234505. The TPSA of 105.09 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:234505. Following Lipinski's Rule of Five, RefChem:234505 has 3 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 RefChem:234505?
The CAS number of RefChem:234505 is 153804-38-7.
What is the molecular formula of RefChem:234505?
The molecular formula of RefChem:234505 is C19H29NO6S.
What is the molecular weight of RefChem:234505?
The molecular weight of RefChem:234505 is 399.17 g/mol.
Where can I buy RefChem:234505?
You can request a quote for RefChem:234505 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:234505?
Yes, KEHONG BIO provides custom synthesis services for RefChem:234505 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.