BAS 12945995
TL;DR: BAS 12945995 (CAS 1008577-21-6) is a chemical compound with molecular formula C19H25NO6S and molecular weight 395.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,11,11-tetramethyl-N-(2-methylsulfanylphenyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
Also Known As: BAS 12945995, VU0509393-1, VU0509393-2, F3114-0034, AT-057/43469457
| Molecular Formula | C19H25NO6S |
|---|---|
| Molecular Weight | 395.14 g/mol |
| LogP | 2.7435 |
| Topological Polar Surface Area | 75.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.14026 |
| Heavy Atoms | 27 |
| Complexity | 738.665 |
Chemical Identifiers
| CAS Number | 1008577-21-6 |
|---|---|
| SMILES | CC1(OC2C(O1)C(OC3C2OC(O3)(C)C)C(=O)NC4=CC=CC=C4SC)C |
Product Overview
BAS 12945995 (CAS 1008577-21-6), with molecular formula C19H25NO6S and molecular weight 395.14 g/mol. IUPAC: 4,4,11,11-tetramethyl-N-(2-methylsulfanylphenyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide.
Chemical Property Profile of BAS 12945995
Property Insights of BAS 12945995
The XLogP value of 2.7435 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12945995. The TPSA of 75.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12945995. Following Lipinski's Rule of Five, BAS 12945995 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 12945995?
The CAS number of BAS 12945995 is 1008577-21-6.
What is the molecular formula of BAS 12945995?
The molecular formula of BAS 12945995 is C19H25NO6S.
What is the molecular weight of BAS 12945995?
The molecular weight of BAS 12945995 is 395.14 g/mol.
Where can I buy BAS 12945995?
You can request a quote for BAS 12945995 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12945995?
Yes, KEHONG BIO provides custom synthesis services for BAS 12945995 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.