photobiotin
TL;DR: photobiotin (CAS 96087-37-5) is a chemical compound with molecular formula C23H35N9O4S and molecular weight 533.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[3-(4-azido-2-nitroanilino)propyl-methylamino]propyl]pentanamide
Also Known As: photobiotin, 5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[3-(4-azido-2-nitroanilino)propyl-methylamino]propyl]pentanamide, N-(3-{[3-(4-Azido-2-nitroanilino)propyl](methyl)amino}propyl)-5-[(3aS,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
| Molecular Formula | C23H35N9O4S |
|---|---|
| Molecular Weight | 533.25 g/mol |
| LogP | 3.5025 |
| Topological Polar Surface Area | 177.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 533.2533 |
| Heavy Atoms | 37 |
| Complexity | 1004.42896 |
Chemical Identifiers
| CAS Number | 96087-37-5 |
|---|---|
| SMILES | CN(CCCNC1=C(C=C(C=C1)N=[N+]=[N-])[N+](=O)[O-])CCCNC(=O)CCCCC2[C@@H]3[C@H](CS2)NC(=O)N3 |
Product Overview
photobiotin (CAS 96087-37-5), with molecular formula C23H35N9O4S and molecular weight 533.25 g/mol. IUPAC: 5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[3-(4-azido-2-nitroanilino)propyl-methylamino]propyl]pentanamide.
Chemical Property Profile of photobiotin
Property Insights of photobiotin
The XLogP value of 3.5025 indicates that photobiotin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 177.4 Ų indicates high polarity, suggesting photobiotin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, photobiotin has 4 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 photobiotin?
The CAS number of photobiotin is 96087-37-5.
What is the molecular formula of photobiotin?
The molecular formula of photobiotin is C23H35N9O4S.
What is the molecular weight of photobiotin?
The molecular weight of photobiotin is 533.25 g/mol.
Where can I buy photobiotin?
You can request a quote for photobiotin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for photobiotin?
Yes, KEHONG BIO provides custom synthesis services for photobiotin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.