beta-Butylstreptozotocin
TL;DR: beta-Butylstreptozotocin (CAS 58435-20-4) is a chemical compound with molecular formula C12H23N3O7 and molecular weight 321.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2R,3R,4R,5S,6R)-2-butoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-1-methyl-1-nitrosourea
Also Known As: beta-Butylstreptozotocin, beta-D-Butyl 2-deoxy-2-(3-methyl-3-nitrosoureido)glucopyranoside, Butyl 2-deoxy-2-(3-methyl-3-nitrosoureido)-beta-d-glucopyranoside, 2-({(e)-[4-(methylsulfanyl)phenyl]methylene}amino)benzamide, butyl 2-deoxy-2-{[methyl(nitroso)carbamoyl]amino}-
| Molecular Formula | C12H23N3O7 |
|---|---|
| Molecular Weight | 321.15 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.1536 |
| Heavy Atoms | 22 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 58435-20-4 |
|---|---|
| SMILES | CCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)N(C)N=O |
| InChIKey | CRYSPCRGLHJZTE-ISUQUUIWSA-N |
Product Overview
beta-Butylstreptozotocin (CAS 58435-20-4), with molecular formula C12H23N3O7 and molecular weight 321.15 g/mol. IUPAC: 3-[(2R,3R,4R,5S,6R)-2-butoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-1-methyl-1-nitrosourea.
Chemical Property Profile of beta-Butylstreptozotocin
Property Insights of beta-Butylstreptozotocin
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Butylstreptozotocin. The TPSA of 141.0 Ų indicates high polarity, suggesting beta-Butylstreptozotocin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-Butylstreptozotocin has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-Butylstreptozotocin?
The CAS number of beta-Butylstreptozotocin is 58435-20-4.
What is the molecular formula of beta-Butylstreptozotocin?
The molecular formula of beta-Butylstreptozotocin is C12H23N3O7.
What is the molecular weight of beta-Butylstreptozotocin?
The molecular weight of beta-Butylstreptozotocin is 321.15 g/mol.
Where can I buy beta-Butylstreptozotocin?
You can request a quote for beta-Butylstreptozotocin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Butylstreptozotocin?
Yes, KEHONG BIO provides custom synthesis services for beta-Butylstreptozotocin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.