cis-6-Benzyloxycarbonylaminocyclohex-3-enecarboxylic acid
TL;DR: cis-6-Benzyloxycarbonylaminocyclohex-3-enecarboxylic acid (CAS 1329602-69-8) is a chemical compound with molecular formula C15H17NO4 and molecular weight 275.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,6S)-6-(phenylmethoxycarbonylamino)cyclohex-3-ene-1-carboxylic acid
Also Known As: Z-1,2-CIS-ACHEC-OH, 3122AD, Z-cis-1,2-aminocyclohex-4-ene carboxylic acid, cis-6-Benzyloxycarbonylaminocyclohex-3-enecarboxylic acid, J3.006.055E
| Molecular Formula | C15H17NO4 |
|---|---|
| Molecular Weight | 275.12 g/mol |
| LogP | 2.3322 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.11575 |
| Heavy Atoms | 20 |
| Complexity | 497.8548 |
Chemical Identifiers
| CAS Number | 1329602-69-8 |
|---|---|
| SMILES | C1C=CC[C@@H]([C@@H]1C(=O)O)NC(=O)OCC2=CC=CC=C2 |
Product Overview
cis-6-Benzyloxycarbonylaminocyclohex-3-enecarboxylic acid (CAS 1329602-69-8), with molecular formula C15H17NO4 and molecular weight 275.12 g/mol. IUPAC: (1R,6S)-6-(phenylmethoxycarbonylamino)cyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of cis-6-Benzyloxycarbonylaminocyclohex-3-enecarboxylic acid
Property Insights of cis-6-Benzyloxycarbonylaminocyclohex-3-enecarboxylic acid
The XLogP value of 2.3322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-6-Benzyloxycarbonylaminocyclohex-3-enecarboxylic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for cis-6-Benzyloxycarbonylaminocyclohex-3-enecarboxylic acid. Following Lipinski's Rule of Five, cis-6-Benzyloxycarbonylaminocyclohex-3-enecarboxylic acid has 2 hydrogen bond donor(s) and 3 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 cis-6-Benzyloxycarbonylaminocyclohex-3-enecarboxylic acid?
The CAS number of cis-6-Benzyloxycarbonylaminocyclohex-3-enecarboxylic acid is 1329602-69-8.
What is the molecular formula of cis-6-Benzyloxycarbonylaminocyclohex-3-enecarboxylic acid?
The molecular formula of cis-6-Benzyloxycarbonylaminocyclohex-3-enecarboxylic acid is C15H17NO4.
What is the molecular weight of cis-6-Benzyloxycarbonylaminocyclohex-3-enecarboxylic acid?
The molecular weight of cis-6-Benzyloxycarbonylaminocyclohex-3-enecarboxylic acid is 275.12 g/mol.
Where can I buy cis-6-Benzyloxycarbonylaminocyclohex-3-enecarboxylic acid?
You can request a quote for cis-6-Benzyloxycarbonylaminocyclohex-3-enecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-6-Benzyloxycarbonylaminocyclohex-3-enecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for cis-6-Benzyloxycarbonylaminocyclohex-3-enecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.