N-Methyl-valyl-amiclenomycin
TL;DR: N-Methyl-valyl-amiclenomycin (CAS 96717-69-0) is a chemical compound with molecular formula C16H27N3O3 and molecular weight 309.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S)-6-amino-8-(4-aminocyclohexa-2,5-dien-1-yl)-7-methyl-6-(methylamino)-5-oxooctanoic acid
Also Known As: N-methyl-valyl-amiclenomycin, Oleyloxyethylphosphorylcholine, MSD 235S2, BA 2, (6S)-6-amino-8-(4-aminocyclohexa-2,5-dien-1-yl)-7-methyl-6-(methylamino)-5-oxooctanoic acid
| Molecular Formula | C16H27N3O3 |
|---|---|
| Molecular Weight | 309.21 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 309.20523 |
| Heavy Atoms | 22 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 96717-69-0 |
|---|---|
| SMILES | CC(CC1C=CC(C=C1)N)[C@](C(=O)CCCC(=O)O)(N)NC |
| InChIKey | IYJXSJJCXYNKBU-NPQGJGQUSA-N |
Product Overview
N-Methyl-valyl-amiclenomycin (CAS 96717-69-0), with molecular formula C16H27N3O3 and molecular weight 309.21 g/mol. IUPAC: (6S)-6-amino-8-(4-aminocyclohexa-2,5-dien-1-yl)-7-methyl-6-(methylamino)-5-oxooctanoic acid.
Chemical Property Profile of N-Methyl-valyl-amiclenomycin
Property Insights of N-Methyl-valyl-amiclenomycin
The XLogP value of -2.4 indicates that N-Methyl-valyl-amiclenomycin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Methyl-valyl-amiclenomycin. Following Lipinski's Rule of Five, N-Methyl-valyl-amiclenomycin 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 N-Methyl-valyl-amiclenomycin?
The CAS number of N-Methyl-valyl-amiclenomycin is 96717-69-0.
What is the molecular formula of N-Methyl-valyl-amiclenomycin?
The molecular formula of N-Methyl-valyl-amiclenomycin is C16H27N3O3.
What is the molecular weight of N-Methyl-valyl-amiclenomycin?
The molecular weight of N-Methyl-valyl-amiclenomycin is 309.21 g/mol.
Where can I buy N-Methyl-valyl-amiclenomycin?
You can request a quote for N-Methyl-valyl-amiclenomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-valyl-amiclenomycin?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-valyl-amiclenomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.