Pactamycate
TL;DR: Pactamycate (CAS 23754-55-4) is a chemical compound with molecular formula C26H31N3O8 and molecular weight 513.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4R,5S,6R,7R,8R,9S)-7-(3-acetylanilino)-6-amino-8,9-dihydroxy-4,9-dimethyl-2-oxo-3-oxa-1-azaspiro[4.4]nonan-8-yl]methyl 2-hydroxy-6-methylbenzoate
Also Known As: Pactamycate, KST-1B2500, Benzoic acid, 2-hydroxy-6-methyl-, (8-((3-acetylphenyl)amino)-9-amino-6,7-dihydroxy-4,6-dimethyl-2-oxo-3-oxa-1-azaspiro(4.4)non-7-yl)methyl ester, (5R-(5a(S*),6beta,7alpha,8beta,9alpha))-, {(4r,5s,6s,7r,8r,9r)-8-[(3-acetylphenyl)amino]-9-amino-6,7-dihydroxy-4,6-dimethyl-2-oxo-3-oxa-1-azaspiro[4.4]non-7-yl}methyl 2-hydroxy-6-methylbenzoate, ((4S,5R,6S,7S,8S,9R)-7-(3-acetylanilino)-6-amino-8,9-dihydroxy-4,9-dimethyl-2-oxo-3-oxa-1-azaspiro(4.4)nonan-8-yl)methyl 2-hydroxy-6-methylbenzoate
| Molecular Formula | C26H31N3O8 |
|---|---|
| Molecular Weight | 513.21 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 513.2111 |
| Heavy Atoms | 37 |
| Complexity | 918.0 |
Chemical Identifiers
| CAS Number | 23754-55-4 |
|---|---|
| SMILES | C[C@@H]1[C@]2([C@@H]([C@H]([C@]([C@@]2(C)O)(COC(=O)C3=C(C=CC=C3O)C)O)NC4=CC=CC(=C4)C(=O)C)N)NC(=O)O1 |
| InChIKey | GRYVVIDCTCRLJM-BXSXBJHJSA-N |
Product Overview
Pactamycate (CAS 23754-55-4), with molecular formula C26H31N3O8 and molecular weight 513.21 g/mol. IUPAC: [(4R,5S,6R,7R,8R,9S)-7-(3-acetylanilino)-6-amino-8,9-dihydroxy-4,9-dimethyl-2-oxo-3-oxa-1-azaspiro[4.4]nonan-8-yl]methyl 2-hydroxy-6-methylbenzoate.
Chemical Property Profile of Pactamycate
Property Insights of Pactamycate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pactamycate. The TPSA of 180.0 Ų indicates high polarity, suggesting Pactamycate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pactamycate has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pactamycate?
The CAS number of Pactamycate is 23754-55-4.
What is the molecular formula of Pactamycate?
The molecular formula of Pactamycate is C26H31N3O8.
What is the molecular weight of Pactamycate?
The molecular weight of Pactamycate is 513.21 g/mol.
Where can I buy Pactamycate?
You can request a quote for Pactamycate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pactamycate?
Yes, KEHONG BIO provides custom synthesis services for Pactamycate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.