1b3h
TL;DR: 1b3h (CAS 12271-05-5) is a chemical compound with molecular formula C21H41N5O4 and molecular weight 427.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-6-amino-2-[[(2S)-3-cyclohexyl-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]hexanoic acid
Also Known As: 1b3h, VAT BLACK 34, (2S)-6-amino-2-[[(2S)-3-cyclohexyl-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]hexanoic acid
| Molecular Formula | C21H41N5O4 |
|---|---|
| Molecular Weight | 427.32 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 427.31586 |
| Heavy Atoms | 30 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 12271-05-5 |
|---|---|
| SMILES | C1CCC(CC1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)N |
| InChIKey | FAEVHSYIPGKFKU-BZSNNMDCSA-N |
Product Overview
1b3h (CAS 12271-05-5), with molecular formula C21H41N5O4 and molecular weight 427.32 g/mol. IUPAC: (2S)-6-amino-2-[[(2S)-3-cyclohexyl-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]hexanoic acid.
Chemical Property Profile of 1b3h
Property Insights of 1b3h
The XLogP value of -1.2 indicates that 1b3h is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 174.0 Ų indicates high polarity, suggesting 1b3h may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1b3h has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1b3h?
The CAS number of 1b3h is 12271-05-5.
What is the molecular formula of 1b3h?
The molecular formula of 1b3h is C21H41N5O4.
What is the molecular weight of 1b3h?
The molecular weight of 1b3h is 427.32 g/mol.
Where can I buy 1b3h?
You can request a quote for 1b3h directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1b3h?
Yes, KEHONG BIO provides custom synthesis services for 1b3h and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.