DL-4,4'-Dithiobis(2-(benzyloxycarbonylamino)butanoic acid)
TL;DR: DL-4,4'-Dithiobis(2-(benzyloxycarbonylamino)butanoic acid) (CAS 69222-99-7) is a chemical compound with molecular formula C24H28N2O8S2 and molecular weight 536.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-[[(3S)-3-carboxy-3-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)butanoic acid
Also Known As: DL-4,4'-Dithiobis(2-(benzyloxycarbonylamino)butanoic acid), 2-Oxa-8,9-dithia-4,13-diazatetradecan-14-oic acid, 5,12-dicarboxy-3-oxo-1-phenyl-, 14-(phenylmethyl) ester, (5R,12R)-rel-, (2S,2'S)-4,4'-Disulfanediylbis(2-{[(benzyloxy)(hydroxy)methylidene]amino}butanoic acid), 4,4'-Disulfanediylbis(2-{[(benzyloxy)(hydroxy)methylidene]amino}butanoic acid), (2S)-4-[[(3S)-4-hydroxy-4-oxo-3-(phenylmethoxycarbonylamino)butyl]disulfanyl]-2-(phenylmethoxycarbonylamino)butanoic acid
| Molecular Formula | C24H28N2O8S2 |
|---|---|
| Molecular Weight | 536.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 17 |
| Exact Mass | 536.1287 |
| Heavy Atoms | 36 |
| Complexity | 642.0 |
Chemical Identifiers
| CAS Number | 69222-99-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)N[C@@H](CCSSCC[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2)C(=O)O |
| InChIKey | XSFWOIRYBLESFW-PMACEKPBSA-N |
Product Overview
DL-4,4'-Dithiobis(2-(benzyloxycarbonylamino)butanoic acid) (CAS 69222-99-7), with molecular formula C24H28N2O8S2 and molecular weight 536.13 g/mol. IUPAC: (2S)-4-[[(3S)-3-carboxy-3-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)butanoic acid.
Chemical Property Profile of DL-4,4'-Dithiobis(2-(benzyloxycarbonylamino)butanoic acid)
Property Insights of DL-4,4'-Dithiobis(2-(benzyloxycarbonylamino)butanoic acid)
The XLogP value of 3.3 indicates that DL-4,4'-Dithiobis(2-(benzyloxycarbonylamino)butanoic acid) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 202.0 Ų indicates high polarity, suggesting DL-4,4'-Dithiobis(2-(benzyloxycarbonylamino)butanoic acid) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DL-4,4'-Dithiobis(2-(benzyloxycarbonylamino)butanoic acid) has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DL-4,4'-Dithiobis(2-(benzyloxycarbonylamino)butanoic acid)?
The CAS number of DL-4,4'-Dithiobis(2-(benzyloxycarbonylamino)butanoic acid) is 69222-99-7.
What is the molecular formula of DL-4,4'-Dithiobis(2-(benzyloxycarbonylamino)butanoic acid)?
The molecular formula of DL-4,4'-Dithiobis(2-(benzyloxycarbonylamino)butanoic acid) is C24H28N2O8S2.
What is the molecular weight of DL-4,4'-Dithiobis(2-(benzyloxycarbonylamino)butanoic acid)?
The molecular weight of DL-4,4'-Dithiobis(2-(benzyloxycarbonylamino)butanoic acid) is 536.13 g/mol.
Where can I buy DL-4,4'-Dithiobis(2-(benzyloxycarbonylamino)butanoic acid)?
You can request a quote for DL-4,4'-Dithiobis(2-(benzyloxycarbonylamino)butanoic acid) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DL-4,4'-Dithiobis(2-(benzyloxycarbonylamino)butanoic acid)?
Yes, KEHONG BIO provides custom synthesis services for DL-4,4'-Dithiobis(2-(benzyloxycarbonylamino)butanoic acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.