N-(1-methylethyl)antibiotic BM 123-gamma
TL;DR: N-(1-methylethyl)antibiotic BM 123-gamma (CAS 67527-59-7) is a chemical compound with molecular formula C40H66ClN13O13 and molecular weight 971.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-[(2R,3R,4S,5S,6R)-5-[[(2S,3R,4R,5R)-5-[[(3aS,6S,7R,7aR)-7-(carbamoylamino)-2-oxo-1,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazol-6-yl]oxy]-3-(carbamoylamino)-4-hydroxyoxan-2-yl]carbamoylamino]-3-(diaminomethylideneamino)-4-hydroxy-6-methyloxan-2-yl]oxyphenyl]-N-[3-[4-(propan-2-ylamino)butylamino]propyl]prop-2-enamide;hydrochloride
Also Known As: Iprocinodine, N-(1-methylethyl)antibiotic BM 123-gamma, (E)-3-[4-[(2R,3R,4S,5S,6R)-5-[[(2S,3R,4R,5R)-5-[[(3aS,6S,7R,7aR)-7-(carbamoylamino)-2-oxo-1,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazol-6-yl]oxy]-3-(carbamoylamino)-4-hydroxyoxan-2-yl]carbamoylamino]-3-(diaminomethylideneamino)-4-hydroxy-6-methyloxan-2-yl]oxyphenyl]-N-[3-[4-(propan-2-ylamino)butylamino]propyl]prop-2-enamide hydrochloride
| Molecular Formula | C40H66ClN13O13 |
|---|---|
| Molecular Weight | 971.46 g/mol |
| LogP | -3.2005 |
| Topological Polar Surface Area | 393.87 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 21 |
| Exact Mass | 971.45917 |
| Heavy Atoms | 67 |
| Complexity | 1849.5533 |
Chemical Identifiers
| CAS Number | 67527-59-7 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2=CC=C(C=C2)/C=C/C(=O)NCCCNCCCCNC(C)C)N=C(N)N)O)NC(=O)N[C@@H]3[C@@H]([C@H]([C@@H](CO3)O[C@H]4[C@@H]([C@@H]5[C@@H](CO4)OC(=O)N5)NC(=O)N)O)NC(=O)N.Cl |
Product Overview
N-(1-methylethyl)antibiotic BM 123-gamma (CAS 67527-59-7), with molecular formula C40H66ClN13O13 and molecular weight 971.46 g/mol. IUPAC: (E)-3-[4-[(2R,3R,4S,5S,6R)-5-[[(2S,3R,4R,5R)-5-[[(3aS,6S,7R,7aR)-7-(carbamoylamino)-2-oxo-1,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazol-6-yl]oxy]-3-(carbamoylamino)-4-hydroxyoxan-2-yl]carbamoylamino]-3-(diaminomethylideneamino)-4-hydroxy-6-methyloxan-2-yl]oxyphenyl]-N-[3-[4-(propan-2-ylamino)butylamino]propyl]prop-2-enamide;hydrochloride.
Chemical Property Profile of N-(1-methylethyl)antibiotic BM 123-gamma
Property Insights of N-(1-methylethyl)antibiotic BM 123-gamma
The XLogP value of -3.2005 indicates that N-(1-methylethyl)antibiotic BM 123-gamma is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 393.87 Ų indicates high polarity, suggesting N-(1-methylethyl)antibiotic BM 123-gamma may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(1-methylethyl)antibiotic BM 123-gamma has 14 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1-methylethyl)antibiotic BM 123-gamma?
The CAS number of N-(1-methylethyl)antibiotic BM 123-gamma is 67527-59-7.
What is the molecular formula of N-(1-methylethyl)antibiotic BM 123-gamma?
The molecular formula of N-(1-methylethyl)antibiotic BM 123-gamma is C40H66ClN13O13.
What is the molecular weight of N-(1-methylethyl)antibiotic BM 123-gamma?
The molecular weight of N-(1-methylethyl)antibiotic BM 123-gamma is 971.46 g/mol.
Where can I buy N-(1-methylethyl)antibiotic BM 123-gamma?
You can request a quote for N-(1-methylethyl)antibiotic BM 123-gamma directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-methylethyl)antibiotic BM 123-gamma?
Yes, KEHONG BIO provides custom synthesis services for N-(1-methylethyl)antibiotic BM 123-gamma and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.