BAS 00989736
TL;DR: BAS 00989736 (CAS 333769-48-5) is a chemical compound with molecular formula C19H30N2O and molecular weight 302.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
18-amino-17-oxabicyclo[14.3.0]nonadeca-1(16),18-diene-19-carbonitrile
Also Known As: BAS 00989736, 2-amino-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclohexadeca[b]furan-3-carbonitrile, 18-amino-17-oxabicyclo[14.3.0]nonadeca-1(16),18-diene-19-carbonitrile
| Molecular Formula | C19H30N2O |
|---|---|
| Molecular Weight | 302.24 g/mol |
| LogP | 5.51328 |
| Topological Polar Surface Area | 62.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 302.2358 |
| Heavy Atoms | 22 |
| Complexity | 484.36002 |
Chemical Identifiers
| CAS Number | 333769-48-5 |
|---|---|
| SMILES | C1CCCCCCCC2=C(CCCCCC1)C(=C(O2)N)C#N |
Product Overview
BAS 00989736 (CAS 333769-48-5), with molecular formula C19H30N2O and molecular weight 302.24 g/mol. IUPAC: 18-amino-17-oxabicyclo[14.3.0]nonadeca-1(16),18-diene-19-carbonitrile.
Chemical Property Profile of BAS 00989736
Property Insights of BAS 00989736
The XLogP value of 5.51328 indicates that BAS 00989736 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.95 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00989736. Following Lipinski's Rule of Five, BAS 00989736 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00989736?
The CAS number of BAS 00989736 is 333769-48-5.
What is the molecular formula of BAS 00989736?
The molecular formula of BAS 00989736 is C19H30N2O.
What is the molecular weight of BAS 00989736?
The molecular weight of BAS 00989736 is 302.24 g/mol.
Where can I buy BAS 00989736?
You can request a quote for BAS 00989736 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00989736?
Yes, KEHONG BIO provides custom synthesis services for BAS 00989736 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.