Pradimicin A butylamide
TL;DR: Pradimicin A butylamide (CAS 133917-52-9) is a chemical compound with molecular formula C44H53N3O17 and molecular weight 895.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(butylamino)-1-oxopropan-2-yl]-1,6,9,14-tetrahydroxy-5-[3-hydroxy-6-methyl-5-(methylamino)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxamide
Also Known As: Pradimicin A butylamide, Propanamide, N-butyl-2-(((5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)amino)-, (5S-(2(S*),5-alpha,6-beta))-, N-[1-(butylamino)-1-oxopropan-2-yl]-1,6,9,14-tetrahydroxy-5-[3-hydroxy-6-methyl-5-(methylamino)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxamide, N-[1-(Butylimino)-1-hydroxypropan-2-yl]-5-{[4,6-dideoxy-4-(methylamino)-3-O-pentopyranosylhexopyranosyl]oxy}-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboximidic acid
| Molecular Formula | C44H53N3O17 |
|---|---|
| Molecular Weight | 895.34 g/mol |
| LogP | 0.22002 |
| Topological Polar Surface Area | 312.36 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 12 |
| Exact Mass | 895.3375 |
| Heavy Atoms | 64 |
| Complexity | 2356.087 |
Chemical Identifiers
| CAS Number | 133917-52-9 |
|---|---|
| SMILES | CCCCNC(=O)C(C)NC(=O)C1=C(C2=C(C=C1C)C(C(C3=CC4=C(C(=C32)O)C(=O)C5=C(C4=O)C(=CC(=C5)OC)O)O)OC6C(C(C(C(O6)C)NC)OC7C(C(C(CO7)O)O)O)O)O |
Product Overview
Pradimicin A butylamide (CAS 133917-52-9), with molecular formula C44H53N3O17 and molecular weight 895.34 g/mol. IUPAC: N-[1-(butylamino)-1-oxopropan-2-yl]-1,6,9,14-tetrahydroxy-5-[3-hydroxy-6-methyl-5-(methylamino)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxamide.
Chemical Property Profile of Pradimicin A butylamide
Property Insights of Pradimicin A butylamide
The XLogP value of 0.22002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pradimicin A butylamide. The TPSA of 312.36 Ų indicates high polarity, suggesting Pradimicin A butylamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pradimicin A butylamide has 11 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pradimicin A butylamide?
The CAS number of Pradimicin A butylamide is 133917-52-9.
What is the molecular formula of Pradimicin A butylamide?
The molecular formula of Pradimicin A butylamide is C44H53N3O17.
What is the molecular weight of Pradimicin A butylamide?
The molecular weight of Pradimicin A butylamide is 895.34 g/mol.
Where can I buy Pradimicin A butylamide?
You can request a quote for Pradimicin A butylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pradimicin A butylamide?
Yes, KEHONG BIO provides custom synthesis services for Pradimicin A butylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.