Exatecan (acid)
TL;DR: Exatecan (acid) (CAS 276680-63-8) is a chemical compound with molecular formula C24H24FN3O5 and molecular weight 453.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(19S)-19-amino-14-fluoro-6-(hydroxymethyl)-15-methyl-5-oxo-4,11-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1,6,8,10,12,14,16(20)-heptaen-7-yl]-2-hydroxybutanoic acid
Also Known As: Exatecan (acid), (2S)-2-[(1S)-1-Amino-5-fluoro-10-(hydroxymethyl)-4-methyl-11-oxo-2,3,11,13-tetrahydro-1H-benzo[de]indolizino[1,2-b]quinolin-9-yl]-2-hydroxybutanoic acid
| Molecular Formula | C24H24FN3O5 |
|---|---|
| Molecular Weight | 453.17 g/mol |
| LogP | 1.99322 |
| Topological Polar Surface Area | 138.67 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.17 |
| Heavy Atoms | 33 |
| Complexity | 1430.5828 |
Chemical Identifiers
| CAS Number | 276680-63-8 |
|---|---|
| SMILES | CC[C@](C1=C(C(=O)N2CC3=C4[C@H](CCC5=C4C(=CC(=C5C)F)N=C3C2=C1)N)CO)(C(=O)O)O |
Product Overview
Exatecan (acid) (CAS 276680-63-8), with molecular formula C24H24FN3O5 and molecular weight 453.17 g/mol. IUPAC: (2S)-2-[(19S)-19-amino-14-fluoro-6-(hydroxymethyl)-15-methyl-5-oxo-4,11-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1,6,8,10,12,14,16(20)-heptaen-7-yl]-2-hydroxybutanoic acid.
Chemical Property Profile of Exatecan (acid)
Property Insights of Exatecan (acid)
The XLogP value of 1.99322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Exatecan (acid). The TPSA of 138.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Exatecan (acid). Following Lipinski's Rule of Five, Exatecan (acid) has 4 hydrogen bond donor(s) and 6 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 Exatecan (acid)?
The CAS number of Exatecan (acid) is 276680-63-8.
What is the molecular formula of Exatecan (acid)?
The molecular formula of Exatecan (acid) is C24H24FN3O5.
What is the molecular weight of Exatecan (acid)?
The molecular weight of Exatecan (acid) is 453.17 g/mol.
Where can I buy Exatecan (acid)?
You can request a quote for Exatecan (acid) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Exatecan (acid)?
Yes, KEHONG BIO provides custom synthesis services for Exatecan (acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.