Crambine A
TL;DR: Crambine A (CAS 132210-62-9) is a chemical compound with molecular formula C24H44N6O2 and molecular weight 448.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diaminomethylideneamino)butyl 1-amino-3-undecyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate
Also Known As: Crambine A, Crambescine A, 4-(diaminomethylideneamino)butyl 1-amino-3-undecyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate, 4-(diaminomethylideneamino)butyl 2-amino-4-undecyl-1,3-diazabicyclo[4.3.0]nona-2,5-diene-5-carboxylate, Pyrrolo(1,2-c)pyrimidine-4-carboxylic acid, 1-amino-3,5,6,7-tetrahydro-3-undecyl-, 4-((aminoiminomethyl)amino)butyl ester, (+)-
| Molecular Formula | C24H44N6O2 |
|---|---|
| Molecular Weight | 448.35 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 448.35257 |
| Heavy Atoms | 32 |
| Complexity | 669.0 |
Chemical Identifiers
| CAS Number | 132210-62-9 |
|---|---|
| SMILES | CCCCCCCCCCCC1C(=C2CCCN2C(=N1)N)C(=O)OCCCCN=C(N)N |
| InChIKey | LNRWFIMDKWPBJL-UHFFFAOYSA-N |
Product Overview
Crambine A (CAS 132210-62-9), with molecular formula C24H44N6O2 and molecular weight 448.35 g/mol. IUPAC: 4-(diaminomethylideneamino)butyl 1-amino-3-undecyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate.
Chemical Property Profile of Crambine A
Property Insights of Crambine A
The XLogP value of 4.0 indicates that Crambine A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Crambine A. Following Lipinski's Rule of Five, Crambine A has 3 hydrogen bond donor(s) and 4 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 Crambine A?
The CAS number of Crambine A is 132210-62-9.
What is the molecular formula of Crambine A?
The molecular formula of Crambine A is C24H44N6O2.
What is the molecular weight of Crambine A?
The molecular weight of Crambine A is 448.35 g/mol.
Where can I buy Crambine A?
You can request a quote for Crambine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crambine A?
Yes, KEHONG BIO provides custom synthesis services for Crambine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.