7-Deoxypactamycin
TL;DR: 7-Deoxypactamycin (CAS 104820-96-4) is a chemical compound with molecular formula C28H38N4O7 and molecular weight 542.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,3S,4S,5S)-5-(3-acetylanilino)-4-amino-3-(dimethylcarbamoylamino)-3-ethyl-1,2-dihydroxy-2-methylcyclopentyl]methyl 2-hydroxy-6-methylbenzoate
Also Known As: 7-Deoxypactamycin, Cranomycin, Cranomycin (8CI,9CI), PD 113618, [(1S,2R,3S,4S,5S)-5-(3-acetylanilino)-4-amino-3-(dimethylcarbamoylamino)-3-ethyl-1,2-dihydroxy-2-methylcyclopentyl]methyl 2-hydroxy-6-methylbenzoate
| Molecular Formula | C28H38N4O7 |
|---|---|
| Molecular Weight | 542.27 g/mol |
| LogP | 1.78372 |
| Topological Polar Surface Area | 174.45 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 542.27405 |
| Heavy Atoms | 39 |
| Complexity | 1243.9728 |
Chemical Identifiers
| CAS Number | 104820-96-4 |
|---|---|
| SMILES | CC[C@@]1([C@H]([C@@H]([C@@]([C@]1(C)O)(COC(=O)C2=C(C=CC=C2O)C)O)NC3=CC=CC(=C3)C(=O)C)N)NC(=O)N(C)C |
Product Overview
7-Deoxypactamycin (CAS 104820-96-4), with molecular formula C28H38N4O7 and molecular weight 542.27 g/mol. IUPAC: [(1S,2R,3S,4S,5S)-5-(3-acetylanilino)-4-amino-3-(dimethylcarbamoylamino)-3-ethyl-1,2-dihydroxy-2-methylcyclopentyl]methyl 2-hydroxy-6-methylbenzoate.
Chemical Property Profile of 7-Deoxypactamycin
Property Insights of 7-Deoxypactamycin
The XLogP value of 1.78372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Deoxypactamycin. The TPSA of 174.45 Ų indicates high polarity, suggesting 7-Deoxypactamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Deoxypactamycin has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Deoxypactamycin?
The CAS number of 7-Deoxypactamycin is 104820-96-4.
What is the molecular formula of 7-Deoxypactamycin?
The molecular formula of 7-Deoxypactamycin is C28H38N4O7.
What is the molecular weight of 7-Deoxypactamycin?
The molecular weight of 7-Deoxypactamycin is 542.27 g/mol.
Where can I buy 7-Deoxypactamycin?
You can request a quote for 7-Deoxypactamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Deoxypactamycin?
Yes, KEHONG BIO provides custom synthesis services for 7-Deoxypactamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.