alpha,alpha'-Diaminosuberic acid
TL;DR: alpha,alpha'-Diaminosuberic acid (CAS 94503-95-4) is a chemical compound with molecular formula C15H32Cl2N3O4PS2 and molecular weight 483.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[bis(2-chloroethyl)amino]-1,3,2-oxazaphosphinan-4-yl]sulfanyl]ethanesulfonic acid;cyclohexanamine
Also Known As: alpha,alpha'-Diaminosuberic acid, 2-({2-[bis(2-chloroethyl)amino]-1,3,2-oxazaphosphinan-4-yl}sulfanyl)ethanesulfonic acid-cyclohexanamine(1:1), 2-[[2-[bis(2-chloroethyl)amino]-1,3,2-oxazaphosphinan-4-yl]sulfanyl]ethanesulfonic acid; cyclohexanamine
| Molecular Formula | C15H32Cl2N3O4PS2 |
|---|---|
| Molecular Weight | 483.09 g/mol |
| LogP | 3.2277 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 483.09488 |
| Heavy Atoms | 27 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 94503-95-4 |
|---|---|
| SMILES | C1CCC(CC1)N.C1COP(NC1SCCS(=O)(=O)O)N(CCCl)CCCl |
| InChIKey | QDSMXYFVMANUFH-UHFFFAOYSA-N |
Product Overview
alpha,alpha'-Diaminosuberic acid (CAS 94503-95-4), with molecular formula C15H32Cl2N3O4PS2 and molecular weight 483.09 g/mol. IUPAC: 2-[[2-[bis(2-chloroethyl)amino]-1,3,2-oxazaphosphinan-4-yl]sulfanyl]ethanesulfonic acid;cyclohexanamine.
Chemical Property Profile of alpha,alpha'-Diaminosuberic acid
Property Insights of alpha,alpha'-Diaminosuberic acid
The XLogP value of 3.2277 indicates that alpha,alpha'-Diaminosuberic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha,alpha'-Diaminosuberic acid. Following Lipinski's Rule of Five, alpha,alpha'-Diaminosuberic acid has 3 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 alpha,alpha'-Diaminosuberic acid?
The CAS number of alpha,alpha'-Diaminosuberic acid is 94503-95-4.
What is the molecular formula of alpha,alpha'-Diaminosuberic acid?
The molecular formula of alpha,alpha'-Diaminosuberic acid is C15H32Cl2N3O4PS2.
What is the molecular weight of alpha,alpha'-Diaminosuberic acid?
The molecular weight of alpha,alpha'-Diaminosuberic acid is 483.09 g/mol.
Where can I buy alpha,alpha'-Diaminosuberic acid?
You can request a quote for alpha,alpha'-Diaminosuberic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha,alpha'-Diaminosuberic acid?
Yes, KEHONG BIO provides custom synthesis services for alpha,alpha'-Diaminosuberic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.