BAS 12946000
TL;DR: BAS 12946000 (CAS 1008646-38-5) is a chemical compound with molecular formula C21H29NO7 and molecular weight 407.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-methoxyphenyl)ethyl]-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
Also Known As: BAS 12946000, VU0509397-1, VU0509397-2, F3114-0038, N-[2-(4-methoxyphenyl)ethyl]-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecane-8-carboxamide
| Molecular Formula | C21H29NO7 |
|---|---|
| Molecular Weight | 407.19 g/mol |
| LogP | 1.7504 |
| Topological Polar Surface Area | 84.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.1944 |
| Heavy Atoms | 29 |
| Complexity | 747.9014 |
Chemical Identifiers
| CAS Number | 1008646-38-5 |
|---|---|
| SMILES | CC1(OC2C(O1)C(OC3C2OC(O3)(C)C)C(=O)NCCC4=CC=C(C=C4)OC)C |
Product Overview
BAS 12946000 (CAS 1008646-38-5), with molecular formula C21H29NO7 and molecular weight 407.19 g/mol. IUPAC: N-[2-(4-methoxyphenyl)ethyl]-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide.
Chemical Property Profile of BAS 12946000
Property Insights of BAS 12946000
The XLogP value of 1.7504 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12946000. The TPSA of 84.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12946000. Following Lipinski's Rule of Five, BAS 12946000 has 1 hydrogen bond donor(s) and 7 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 12946000?
The CAS number of BAS 12946000 is 1008646-38-5.
What is the molecular formula of BAS 12946000?
The molecular formula of BAS 12946000 is C21H29NO7.
What is the molecular weight of BAS 12946000?
The molecular weight of BAS 12946000 is 407.19 g/mol.
Where can I buy BAS 12946000?
You can request a quote for BAS 12946000 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12946000?
Yes, KEHONG BIO provides custom synthesis services for BAS 12946000 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.