Kanglemycin A
TL;DR: Kanglemycin A (CAS 114153-91-2) is a chemical compound with molecular formula C50H63NO19 and molecular weight 981.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-[(9E,19E,21E)-13-acetyloxy-2,15,17-trihydroxy-3,7,12,14,16,22-hexamethyl-11-[(4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl)oxy]-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-18-yl]ethoxy]-3,3-dimethyl-4-oxobutanoic acid
Also Known As: Kanglemycin A, Kanglemeisu A, 4-[1-[(9E,19E,21E)-13-acetyloxy-2,15,17-trihydroxy-3,7,12,14,16,22-hexamethyl-11-[(4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl)oxy]-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-18-yl]ethoxy]-3,3-dimethyl-4-oxobutanoic acid, Rifamycin, 20-(1-(3-carboxy-2,2-dimethyl-1-oxopropoxy)ethyl)-20-demethyl-27-O-demethyl-1,4-dideoxy-27-O-(2,6-dideoxy-3,4-O-methylene-beta-D-ribo-hexopyranosyl)-1,4-dihydro-1,4-dioxo-
| Molecular Formula | C50H63NO19 |
|---|---|
| Molecular Weight | 981.40 g/mol |
| LogP | 4.28962 |
| Topological Polar Surface Area | 286.28 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 8 |
| Exact Mass | 981.3994 |
| Heavy Atoms | 70 |
| Complexity | 2417.4893 |
Chemical Identifiers
| CAS Number | 114153-91-2 |
|---|---|
| SMILES | CC1C(/C=C/OC2(C(=O)C3=C(O2)C(=C(C4=C3C(=O)C=C(C4=O)NC(=O)/C(=C/C=C/C(C(C(C(C(C1OC(=O)C)C)O)C)O)C(C)OC(=O)C(C)(C)CC(=O)O)/C)O)C)C)OC5CC6C(C(O5)C)OCO6 |
Product Overview
Kanglemycin A (CAS 114153-91-2), with molecular formula C50H63NO19 and molecular weight 981.40 g/mol. IUPAC: 4-[1-[(9E,19E,21E)-13-acetyloxy-2,15,17-trihydroxy-3,7,12,14,16,22-hexamethyl-11-[(4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl)oxy]-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-18-yl]ethoxy]-3,3-dimethyl-4-oxobutanoic acid.
Chemical Property Profile of Kanglemycin A
Property Insights of Kanglemycin A
The XLogP value of 4.28962 indicates that Kanglemycin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 286.28 Ų indicates high polarity, suggesting Kanglemycin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kanglemycin A has 5 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 Kanglemycin A?
The CAS number of Kanglemycin A is 114153-91-2.
What is the molecular formula of Kanglemycin A?
The molecular formula of Kanglemycin A is C50H63NO19.
What is the molecular weight of Kanglemycin A?
The molecular weight of Kanglemycin A is 981.40 g/mol.
Where can I buy Kanglemycin A?
You can request a quote for Kanglemycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kanglemycin A?
Yes, KEHONG BIO provides custom synthesis services for Kanglemycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.