1,25-dihydroxyvitamin D3-3-(N-(4-azido-2-nitrophenyl)glycinate)
TL;DR: 1,25-dihydroxyvitamin D3-3-(N-(4-azido-2-nitrophenyl)glycinate) (CAS 98728-28-0) is a chemical compound with molecular formula C35H49N5O6 and molecular weight 635.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3Z,5S)-3-[(2Z)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-4-methylidenecyclohexyl] 2-(4-azido-2-nitroanilino)acetate
Also Known As: Calcitriol-ang, 1,25-Dihydroxyvitamin D3-3-(N-(4-azido-2-nitrophenyl)glycinate), [(3Z,5S)-3-[(2Z)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-4-methylidenecyclohexyl] 2-(4-azido-2-nitroanilino)acetate, N-(4-Azido-2-nitrophenyl)glycine (1alpha,3beta,5Z,7E)-1,25-dihydroxy-9,10-secocholesta-5,7,10(19)-trien-3-yl ester, Glycine, N-(4-azido-2-nitrophenyl)-, (1alpha,3beta,5Z,7E)-1,25-dihydroxy-9,10-secocholesta-5,7,10(19)-trien-3-yl ester
| Molecular Formula | C35H49N5O6 |
|---|---|
| Molecular Weight | 635.37 g/mol |
| LogP | 8.2177 |
| Topological Polar Surface Area | 170.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 635.3683 |
| Heavy Atoms | 46 |
| Complexity | 1424.6377 |
Chemical Identifiers
| CAS Number | 98728-28-0 |
|---|---|
| SMILES | C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C/C=C\3/CC(C[C@@H](C3=C)O)OC(=O)CNC4=C(C=C(C=C4)N=[N+]=[N-])[N+](=O)[O-])C |
Product Overview
1,25-dihydroxyvitamin D3-3-(N-(4-azido-2-nitrophenyl)glycinate) (CAS 98728-28-0), with molecular formula C35H49N5O6 and molecular weight 635.37 g/mol. IUPAC: [(3Z,5S)-3-[(2Z)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-4-methylidenecyclohexyl] 2-(4-azido-2-nitroanilino)acetate.
Chemical Property Profile of 1,25-dihydroxyvitamin D3-3-(N-(4-azido-2-nitrophenyl)glycinate)
Property Insights of 1,25-dihydroxyvitamin D3-3-(N-(4-azido-2-nitrophenyl)glycinate)
The XLogP value of 8.2177 indicates that 1,25-dihydroxyvitamin D3-3-(N-(4-azido-2-nitrophenyl)glycinate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.69 Ų indicates high polarity, suggesting 1,25-dihydroxyvitamin D3-3-(N-(4-azido-2-nitrophenyl)glycinate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,25-dihydroxyvitamin D3-3-(N-(4-azido-2-nitrophenyl)glycinate) has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,25-dihydroxyvitamin D3-3-(N-(4-azido-2-nitrophenyl)glycinate)?
The CAS number of 1,25-dihydroxyvitamin D3-3-(N-(4-azido-2-nitrophenyl)glycinate) is 98728-28-0.
What is the molecular formula of 1,25-dihydroxyvitamin D3-3-(N-(4-azido-2-nitrophenyl)glycinate)?
The molecular formula of 1,25-dihydroxyvitamin D3-3-(N-(4-azido-2-nitrophenyl)glycinate) is C35H49N5O6.
What is the molecular weight of 1,25-dihydroxyvitamin D3-3-(N-(4-azido-2-nitrophenyl)glycinate)?
The molecular weight of 1,25-dihydroxyvitamin D3-3-(N-(4-azido-2-nitrophenyl)glycinate) is 635.37 g/mol.
Where can I buy 1,25-dihydroxyvitamin D3-3-(N-(4-azido-2-nitrophenyl)glycinate)?
You can request a quote for 1,25-dihydroxyvitamin D3-3-(N-(4-azido-2-nitrophenyl)glycinate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,25-dihydroxyvitamin D3-3-(N-(4-azido-2-nitrophenyl)glycinate)?
Yes, KEHONG BIO provides custom synthesis services for 1,25-dihydroxyvitamin D3-3-(N-(4-azido-2-nitrophenyl)glycinate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.