NCI60_003147
TL;DR: NCI60_003147 (CAS 501688-65-9) is a chemical compound with molecular formula C10H12N2O3P+ and molecular weight 239.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethylspiro[1,3,2-oxazaphospholidin-2-ium-2,2'-3H-1,3,2-benzoxazaphosphol-2-ium]-5-one
Also Known As: NCI60_003147, 4',4'-Dimethyl-2,3-dihydro-2lambda~5~-spiro[[1,3,2]benzoxazaphosphole-2,2'-[1,3,2]oxazaphospholidin]-5'-one, 4,4-dimethylspiro[1,3,2-oxazaphospholidin-2-ium-2,2'-3H-1,3,2-benzoxazaphosphol-2-ium]-5-one, Spiro[1,3,2-benzoxazaphosphole-2(3H),2a(2)I>>5-[1,3,2]oxazaphospholidin]-5a(2)-one, 4a(2),4a(2)-dimethyl-
| Molecular Formula | C10H12N2O3P+ |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 2.0935 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.05855 |
| Heavy Atoms | 16 |
| Complexity | 449.88687 |
Chemical Identifiers
| CAS Number | 501688-65-9 |
|---|---|
| SMILES | CC1(C(=O)O[P+]2(N1)NC3=CC=CC=C3O2)C |
Product Overview
NCI60_003147 (CAS 501688-65-9), with molecular formula C10H12N2O3P+ and molecular weight 239.06 g/mol. IUPAC: 4,4-dimethylspiro[1,3,2-oxazaphospholidin-2-ium-2,2'-3H-1,3,2-benzoxazaphosphol-2-ium]-5-one.
Chemical Property Profile of NCI60_003147
Property Insights of NCI60_003147
The XLogP value of 2.0935 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_003147. With a topological polar surface area (TPSA) of 59.59 Ų, NCI60_003147 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_003147 has 2 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 NCI60_003147?
The CAS number of NCI60_003147 is 501688-65-9.
What is the molecular formula of NCI60_003147?
The molecular formula of NCI60_003147 is C10H12N2O3P+.
What is the molecular weight of NCI60_003147?
The molecular weight of NCI60_003147 is 239.06 g/mol.
Where can I buy NCI60_003147?
You can request a quote for NCI60_003147 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_003147?
Yes, KEHONG BIO provides custom synthesis services for NCI60_003147 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.