BAS 09976872
TL;DR: BAS 09976872 (CAS 613658-61-0) is a chemical compound with molecular formula C14H17N3O3 and molecular weight 275.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(cyanomethyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Also Known As: BAS 09976872, AF-399/41585689, N,N-bis(cyanomethyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide, (1S,4S)-N,N-BIS(CYANOMETHYL)-4,7,7-TRIMETHYL-3-OXO-2-OXABICYCLO[2.2.1]HEPTANE-1-CARBOXAMIDE, N,N-bis(cyanomethyl)(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptyl)carboxami de
| Molecular Formula | C14H17N3O3 |
|---|---|
| Molecular Weight | 275.13 g/mol |
| LogP | 0.98406 |
| Topological Polar Surface Area | 94.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.12698 |
| Heavy Atoms | 20 |
| Complexity | 540.9919 |
Chemical Identifiers
| CAS Number | 613658-61-0 |
|---|---|
| SMILES | CC1(C2(CCC1(OC2=O)C(=O)N(CC#N)CC#N)C)C |
Product Overview
BAS 09976872 (CAS 613658-61-0), with molecular formula C14H17N3O3 and molecular weight 275.13 g/mol. IUPAC: N,N-bis(cyanomethyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide.
Chemical Property Profile of BAS 09976872
Property Insights of BAS 09976872
The XLogP value of 0.98406 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 09976872. The TPSA of 94.19 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09976872. Following Lipinski's Rule of Five, BAS 09976872 has 0 hydrogen bond donor(s) and 5 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 09976872?
The CAS number of BAS 09976872 is 613658-61-0.
What is the molecular formula of BAS 09976872?
The molecular formula of BAS 09976872 is C14H17N3O3.
What is the molecular weight of BAS 09976872?
The molecular weight of BAS 09976872 is 275.13 g/mol.
Where can I buy BAS 09976872?
You can request a quote for BAS 09976872 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09976872?
Yes, KEHONG BIO provides custom synthesis services for BAS 09976872 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.