克兰贝辛B甲酸
TL;DR: 克兰贝辛B甲酸 (CAS 132210-63-0) is a chemical compound with molecular formula C25H48N6O3 and molecular weight 480.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
克兰贝辛B甲酸
7-(diaminomethylideneamino)heptyl (6R,7S)-9-amino-7-nonyl-1-oxa-8,10-diazaspiro[4.5]dec-8-ene-6-carboxylate
Also Known As: Crambescin B, Crambescin B carboxylic acid, 7-Carbamimidamidoheptyl 7-imino-9-nonyl-1-oxa-6,8-diazaspiro[4.5]decane-10-carboxylate, 1-Oxa-6,8-diazaspiro(4.5)dec-6-ene-10-carboxylic acid, 7-amino-9-nonyl-, 7-((aminoiminomethyl)amino)heptyl ester, (5alpha,9beta,10beta)-(+)-, 7-(Carbamimidoylamino)heptyl (9S,10R)-7-imino-9-nonyl-1-oxa-6,8-diazaspiro[4.5]decane-10-carboxylate
| Molecular Formula | C25H48N6O3 |
|---|---|
| Molecular Weight | 480.38 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 480.37878 |
| Heavy Atoms | 34 |
| Complexity | 653.0 |
Chemical Identifiers
| CAS Number | 132210-63-0 |
|---|---|
| SMILES | CCCCCCCCC[C@H]1[C@H](C2(CCCO2)NC(=N1)N)C(=O)OCCCCCCCN=C(N)N |
| InChIKey | WKQBILXUHOSLDZ-ZLTNKZLJSA-N |
Product Overview
克兰贝辛B甲酸 (CAS 132210-63-0), with molecular formula C25H48N6O3 and molecular weight 480.38 g/mol. IUPAC: 7-(diaminomethylideneamino)heptyl (6R,7S)-9-amino-7-nonyl-1-oxa-8,10-diazaspiro[4.5]dec-8-ene-6-carboxylate.
Chemical Property Profile of 克兰贝辛B甲酸
Property Insights of 克兰贝辛B甲酸
The XLogP value of 3.8 indicates that 克兰贝辛B甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting 克兰贝辛B甲酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 克兰贝辛B甲酸 has 4 hydrogen bond donor(s) and 5 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 克兰贝辛B甲酸?
The CAS number of 克兰贝辛B甲酸 is 132210-63-0.
What is the molecular formula of 克兰贝辛B甲酸?
The molecular formula of 克兰贝辛B甲酸 is C25H48N6O3.
What is the molecular weight of 克兰贝辛B甲酸?
The molecular weight of 克兰贝辛B甲酸 is 480.38 g/mol.
Where can I buy 克兰贝辛B甲酸?
You can request a quote for 克兰贝辛B甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 克兰贝辛B甲酸?
Yes, KEHONG BIO provides custom synthesis services for 克兰贝辛B甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.